Receptor
PDB id Resolution Class Description Source Keywords
3ETG 2.5 Å EC: 1.4.1.3 GLUTAMATE DEHYDROGENASE COMPLEXED WITH GW5074 BOS TAURUS GLUTAMATE DEHYDROGENASE GW5074 INHIBITION OXIDOREDUCTASE
Ref.: NOVEL INHIBITORS COMPLEXED WITH GLUTAMATE DEHYDROGENASE: ALLOSTERIC REGULATION BY CONTROL OF PROTEIN DYNAMICS J.BIOL.CHEM. V. 284 22988 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU A:550;
B:550;
C:550;
D:550;
E:550;
F:550;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 submit data
147.129 C5 H9 N O4 C(CC(...
GTP A:553;
B:553;
C:553;
D:553;
E:553;
F:553;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
GWD A:552;
B:552;
C:552;
D:552;
E:552;
F:552;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 ic50 = 1.5 uM
520.942 C15 H8 Br2 I N O2 c1cc2...
NDP A:551;
B:551;
C:551;
D:551;
E:551;
F:551;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ETG 2.5 Å EC: 1.4.1.3 GLUTAMATE DEHYDROGENASE COMPLEXED WITH GW5074 BOS TAURUS GLUTAMATE DEHYDROGENASE GW5074 INHIBITION OXIDOREDUCTASE
Ref.: NOVEL INHIBITORS COMPLEXED WITH GLUTAMATE DEHYDROGENASE: ALLOSTERIC REGULATION BY CONTROL OF PROTEIN DYNAMICS J.BIOL.CHEM. V. 284 22988 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3ETD ic50 = 4.8 uM B1T C12 H6 Cl4 O2 S c1c(cc(c(c....
2 3ETG ic50 = 1.5 uM GWD C15 H8 Br2 I N O2 c1cc2c(cc1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3ETD ic50 = 4.8 uM B1T C12 H6 Cl4 O2 S c1c(cc(c(c....
2 3ETG ic50 = 1.5 uM GWD C15 H8 Br2 I N O2 c1cc2c(cc1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3ETD ic50 = 4.8 uM B1T C12 H6 Cl4 O2 S c1c(cc(c(c....
2 3ETG ic50 = 1.5 uM GWD C15 H8 Br2 I N O2 c1cc2c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU 1 1
2 DGL 1 1
3 GGL 1 1
4 GLN 0.62963 0.821429
5 DGN 0.62963 0.821429
6 ONL 0.586207 0.821429
7 UN1 0.566667 0.96
8 11C 0.566667 0.96
9 HCS 0.555556 0.714286
10 HGA 0.53125 0.666667
11 NPI 0.53125 0.923077
12 HSE 0.518519 0.758621
13 DAB 0.518519 0.666667
14 MEQ 0.515152 0.71875
15 3O3 0.513514 0.727273
16 API 0.5 0.884615
17 NVA 0.5 0.740741
18 ASP 0.481481 0.846154
19 DAS 0.481481 0.846154
20 TNA 0.463415 0.685714
21 ABA 0.461538 0.692308
22 DSN 0.461538 0.655172
23 DBB 0.461538 0.692308
24 SER 0.461538 0.655172
25 RGP 0.459459 0.648649
26 ORN 0.451613 0.689655
27 HOZ 0.451613 0.666667
28 AE5 0.447368 0.727273
29 DCY 0.444444 0.642857
30 CYS 0.444444 0.642857
31 C2N 0.444444 0.666667
32 NLE 0.4375 0.689655
33 S2G 0.433333 0.653846
34 2HG 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 MET 0.424242 0.625
39 MSE 0.424242 0.606061
40 DLY 0.424242 0.666667
41 MED 0.424242 0.625
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 LYS 0.411765 0.645161
46 DHH 0.411765 0.851852
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 LEU 0.4 0.642857
50 5OY 0.4 0.648649
51 AS2 0.4 0.84
52 2JJ 0.4 0.648649
53 ONH 0.4 0.611111
Ligand no: 2; Ligand: GTP; Similar ligands found: 147
No: Ligand ECFP6 Tc MDL keys Tc
1 GTP 1 1
2 GP3 0.921053 0.973684
3 GDP 0.909091 1
4 GSP 0.853659 0.948718
5 GNH 0.82716 0.986667
6 G1R 0.819277 0.986667
7 GAV 0.811765 0.961039
8 GNP 0.809524 0.973684
9 GCP 0.797619 0.973684
10 5GP 0.797468 0.986486
11 G 0.797468 0.986486
12 GMV 0.764706 0.973684
13 G2R 0.764045 0.961039
14 G5P 0.755319 0.973684
15 GTG 0.752688 0.936709
16 G2P 0.747126 0.961039
17 G3A 0.744681 0.973684
18 GDD 0.741935 0.961039
19 GKE 0.741935 0.961039
20 GDC 0.741935 0.961039
21 0O2 0.736264 0.986486
22 GP2 0.729412 0.961039
23 6CK 0.726316 0.936709
24 Y9Z 0.723404 0.902439
25 GPG 0.717391 0.961039
26 GFB 0.715789 0.961039
27 GDR 0.715789 0.961039
28 GDP MG 0.712644 0.923077
29 GDP BEF 0.704545 0.9
30 GPD 0.704082 0.925
31 JB2 0.693878 0.961039
32 GKD 0.693878 0.961039
33 GCP G 0.692308 0.935065
34 GDX 0.686869 0.973684
35 ALF 5GP 0.685393 0.888889
36 GTP MG 0.681319 0.923077
37 BEF GDP 0.681319 0.888889
38 GH3 0.681319 0.973333
39 YGP 0.677083 0.901235
40 G3D 0.67033 0.986486
41 GDP AF3 0.659574 0.888889
42 GDP ALF 0.659574 0.888889
43 DGT 0.659341 0.923077
44 GMP 0.658228 0.88
45 G4P 0.655914 0.986486
46 JB3 0.653846 0.948718
47 NGD 0.647619 0.961039
48 CAG 0.642202 0.880952
49 2MD 0.62963 0.891566
50 G G 0.622449 0.935065
51 MGP 0.619565 0.961039
52 U2G 0.616822 0.936709
53 6G0 0.612903 0.961039
54 MGD 0.612613 0.891566
55 TPG 0.608696 0.840909
56 CG2 0.605505 0.936709
57 GDP 7MG 0.601942 0.911392
58 FEG 0.601852 0.879518
59 ZGP 0.59633 0.869048
60 MD1 0.591304 0.891566
61 PGD 0.591304 0.925
62 3GP 0.590909 0.946667
63 GPX 0.581633 0.946667
64 DGI 0.580645 0.923077
65 IDP 0.576087 0.972973
66 DBG 0.567797 0.948718
67 FE9 0.555556 0.776596
68 2GP 0.555556 0.96
69 G4M 0.547619 0.880952
70 BGO 0.544643 0.924051
71 I2C FE2 CMO CMO 0.538462 0.808989
72 ATP 0.537634 0.92
73 G1G 0.533898 0.925
74 AQP 0.531915 0.92
75 5FA 0.531915 0.92
76 G A A A 0.525862 0.923077
77 U A G G 0.521368 0.935065
78 01G 0.518868 0.902439
79 ITT 0.510638 0.868421
80 P2G 0.510638 0.883117
81 GGM 0.504274 0.901235
82 G1R G1R 0.504065 0.924051
83 DGP 0.5 0.910256
84 PGD O 0.5 0.850575
85 MGO 0.5 0.864198
86 P1G 0.5 0.871795
87 DG 0.5 0.910256
88 GTA 0.495495 0.936709
89 B4P 0.489362 0.894737
90 AP5 0.489362 0.894737
91 IMP 0.489362 0.959459
92 7DT 0.484536 0.906667
93 G G U 0.482143 0.935065
94 GPC 0.479339 0.879518
95 G C 0.478992 0.9
96 BA3 0.478723 0.894737
97 ADP 0.473684 0.92
98 G2Q 0.471698 0.961039
99 G7M 0.46875 0.948052
100 25L 0.458716 0.907895
101 A2D 0.457447 0.894737
102 RGT 0.45045 0.909091
103 AGS 0.45 0.873418
104 SAP 0.45 0.873418
105 SGP 0.44898 0.82716
106 U G A 0.448529 0.888889
107 A4P 0.445378 0.869048
108 G G G RPC 0.442623 0.875
109 ACQ 0.441176 0.896104
110 ANP 0.441176 0.896104
111 8GT 0.441176 0.875
112 APC G U 0.44 0.886076
113 G U34 0.438017 0.888889
114 6AD 0.436893 0.841463
115 G G G C 0.433071 0.9125
116 UP5 0.432203 0.873418
117 35G 0.431373 0.933333
118 C2E 0.431373 0.921053
119 PCG 0.431373 0.933333
120 A G C C 0.429688 0.911392
121 5GP 5GP 0.427184 0.883117
122 TAT 0.427184 0.884615
123 APR 0.425743 0.894737
124 AR6 0.425743 0.894737
125 AN2 0.424242 0.907895
126 7DD 0.424242 0.906667
127 DG DG 0.423423 0.865854
128 AD9 0.421569 0.896104
129 M33 0.42 0.883117
130 7D4 0.42 0.835443
131 UCG 0.419847 0.911392
132 H6Y 0.419048 0.946667
133 G C C C 0.416667 0.924051
134 ACP 0.415842 0.896104
135 T5A 0.414634 0.802326
136 MGQ 0.412844 0.935897
137 ADQ 0.412844 0.871795
138 A1R 0.412844 0.839506
139 MGT 0.411215 0.823529
140 A G U 0.410072 0.888889
141 93A 0.41 0.833333
142 A22 0.407407 0.907895
143 CA0 0.405941 0.896104
144 ATF 0.40566 0.884615
145 AGO 0.404762 0.888889
146 MGV 0.401786 0.890244
147 CGP 0.4 0.86747
Ligand no: 3; Ligand: GWD; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GWD 1 1
Ligand no: 4; Ligand: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ETG; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3etg.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3ETG; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3etg.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3ETG; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3etg.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3ETG; Ligand: GTP; Similar sites found: 237
This union binding pocket(no: 4) in the query (biounit: 3etg.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1F8F NAD 0.002768 0.4301 1.34771
2 9LDB NAD 0.0001533 0.46599 1.50602
3 2BH9 NAP 0.02025 0.41493 1.63599
4 4B4U NAP 0.001433 0.42539 1.65016
5 1VI2 NAD 0.01181 0.41108 1.66667
6 2OG2 MLI 0.008879 0.44429 1.67131
7 2I3G NAP 0.002143 0.42113 1.70455
8 1WPQ NAD 0.0101 0.41137 1.7192
9 3WLE NAD 0.001614 0.4139 1.75953
10 4MP8 NAD 0.001855 0.40952 1.76991
11 3V1Y NAD 0.000563 0.45613 1.78042
12 4XYB NDP 0.001839 0.41639 1.79028
13 1WDK NAD 0.0002804 0.47984 1.79487
14 1DJN ADP 0.0004979 0.46888 1.79641
15 4KOA NDP 0.00497 0.44135 1.8018
16 3OJO NAD 0.0001352 0.49376 1.85615
17 4R5M NAP 0.005587 0.40948 1.8617
18 5LD5 NAD 0.0001446 0.49248 1.95531
19 1HKU NAD 0.0004003 0.44966 1.95531
20 5I39 FAD 0.00184 0.40751 1.96078
21 1PL6 NAD 0.0004499 0.47863 1.96629
22 1PL6 572 0.003104 0.41243 1.96629
23 3KO0 TFP 0.02877 0.41759 1.9802
24 4RW3 PLM 0.02912 0.4289 1.98676
25 3B9Q MLI 0.02556 0.42069 1.98676
26 3GD4 NAD 0.001008 0.45543 1.99601
27 3Q3C NAD 0.005314 0.4208 2.00669
28 2B4R AES 0.0006246 0.44499 2.02899
29 2B4R NAD 0.0005902 0.44306 2.02899
30 1OBB NAD 0.001622 0.44309 2.08333
31 2GLX NDP 0.01014 0.40865 2.10843
32 1ZMD NAI 0.0009353 0.45011 2.1097
33 5GZ6 NDP 0.002309 0.44626 2.14724
34 5GZ6 7C3 0.003621 0.431 2.14724
35 3SSO SAH 0.003434 0.4384 2.14797
36 1X14 NAD 0.001664 0.46431 2.24439
37 1HYH NAD 0.0002024 0.46126 2.26537
38 4HXY NDP 0.007032 0.40088 2.28311
39 3SQP FAD 0.01105 0.41374 2.30126
40 3OBT SLB 0.03855 0.44236 2.30415
41 1VKO NAD 0.002187 0.4183 2.39521
42 4RQU NAD 0.0003287 0.45924 2.4
43 1P0F NAP 0.002867 0.41376 2.41287
44 1LDM NAD 0.0002792 0.45889 2.43161
45 1MV8 NAD 0.0001277 0.48303 2.52294
46 1MUU NAD 0.0001716 0.48137 2.52294
47 3S5W NAP 0.003439 0.45302 2.59179
48 3S5W FAD 0.006475 0.40228 2.59179
49 1F8G NAD 0.01852 0.40227 2.60417
50 1D1T NAD 0.000693 0.43756 2.68097
51 2PV7 NAD 0.001372 0.43702 2.68456
52 2J5V PCA 0.02031 0.44492 2.7248
53 2RGJ FAD 0.002495 0.41373 2.73632
54 1O8B ABF 0.04329 0.41147 2.73973
55 1O0S NAI 0.0001025 0.49904 2.79441
56 5VN0 NAI 0.002939 0.42615 2.79441
57 1LVL NAD 0.001539 0.45429 2.83843
58 4PPF FLC 0.04051 0.43145 2.85714
59 1P77 ATR 0.0004673 0.52426 2.94118
60 3IHG FAD 0.004228 0.41438 2.99401
61 3BAZ NAP 0.001416 0.44247 3.003
62 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.03322 0.4237 3.06122
63 1K3T BRZ 0.001917 0.41807 3.06407
64 3KLJ FAD 0.005573 0.40044 3.11688
65 2V3B FAD 0.00306 0.40172 3.125
66 1LTH NAD 0.00006045 0.50478 3.1348
67 3DUW SAH 0.01562 0.41116 3.13901
68 3OA2 NAD 0.007034 0.40543 3.14465
69 4E13 NAD 0.0004985 0.47661 3.18021
70 2HK9 ATR 0.0006997 0.50257 3.27273
71 2HK9 NAP 0.003409 0.42346 3.27273
72 3ABI NAD 0.001148 0.43447 3.28767
73 1DRV A3D 0.002742 0.43952 3.2967
74 1YJQ NAP 0.00434 0.40457 3.30033
75 1E5Q NDP 0.004145 0.41473 3.33333
76 1V8B NAD 0.0001732 0.44914 3.34029
77 1X87 NAD 0.005035 0.4247 3.39321
78 5TUK FAD 0.002469 0.42653 3.43137
79 2QMC GTB 0.02813 0.41792 3.44828
80 3NJ4 NAD 0.0107 0.40354 3.44828
81 5M67 ADE 0.001177 0.40592 3.54906
82 5M67 NAD 0.001188 0.40578 3.54906
83 5M67 3D1 0.001311 0.40436 3.54906
84 2G5C NAD 0.001272 0.4327 3.55872
85 3WBF NAP 0.001934 0.42813 3.60656
86 3WBF API 0.005677 0.40014 3.60656
87 1V6A TRE 0.0006538 0.51997 3.61446
88 4E5N NAD 0.0004712 0.44689 3.63636
89 2GCG NDP 0.000748 0.4448 3.63636
90 1B8U NAD 0.0001106 0.50638 3.64742
91 1B8U OAA 0.001547 0.4241 3.64742
92 1LJ8 NAD 0.002564 0.44083 3.65112
93 1M2W NAD 0.004232 0.42802 3.65112
94 2CVQ NDP 0.0004382 0.45419 3.66972
95 2AWN ADP 0.04511 0.4223 3.67454
96 4XPL ACO 0.03162 0.4023 3.68098
97 2NVK NAP 0.008044 0.45601 3.68852
98 3TWO NDP 0.003711 0.40282 3.73563
99 2DC1 NAD 0.0006582 0.45012 3.81356
100 3VPH NAD 0.0002508 0.45164 3.87097
101 3VPH OXM 0.000462 0.43622 3.87097
102 4MDH NAD 0.0008079 0.44646 3.89222
103 4PLG NAI 0.001058 0.41826 3.89222
104 5MDH NAD 0.001662 0.4336 3.9039
105 1DIG NAP 0.001715 0.42237 3.92157
106 1DIG L37 0.002069 0.41682 3.92157
107 1VJT NAD 0.00189 0.45387 3.93375
108 2GV8 NDP 0.001634 0.44295 4.02685
109 2A92 NAI 0.0008507 0.43412 4.04984
110 1NVM NAD 0.0004436 0.44792 4.05797
111 2ZL7 FUC GAL NGA 0.01942 0.43736 4.0678
112 1XP8 AGS 0.04635 0.40983 4.09836
113 5H81 NAP 0.001319 0.45375 4.11311
114 3L9W GSH 0.0005496 0.45022 4.11622
115 3L9W AMP 0.0009648 0.4347 4.11622
116 5TUF FAD 0.00515 0.40393 4.15648
117 3CGD FAD 0.0007898 0.43042 4.16667
118 3CGD COA 0.0007898 0.43042 4.16667
119 1NPD NAD 0.009455 0.40996 4.16667
120 2VYN NAD 0.0002758 0.46232 4.19162
121 1SC6 NAD 0.001113 0.42962 4.20792
122 2IZ1 ATR 0.003467 0.47797 4.21941
123 2F1K NAP 0.001295 0.44102 4.30108
124 3H9E NAD 0.0004801 0.45902 4.33526
125 4CJX NAP 0.00005288 0.50307 4.38871
126 3ICT ADP 0.000889 0.49176 4.39122
127 3ICS ADP 0.001241 0.48431 4.39122
128 1WB4 SXX 0.02026 0.43335 4.39122
129 4OOE NDP 0.001438 0.43912 4.45545
130 1HYE NAP 0.006734 0.41913 4.47284
131 5FI3 NAP 0.002671 0.41987 4.48179
132 1DSS NAD 0.0003229 0.46972 4.5045
133 4JK3 NAD 0.0001752 0.47729 4.6332
134 1LLU NAD 0.0004657 0.43872 4.67836
135 4KFU ACP 0.0384 0.42066 4.71698
136 2GSD NAD 0.002155 0.41154 4.72637
137 2D2I NAP 0.0004986 0.46522 4.73684
138 1EBF NAD 0.00002048 0.40204 4.7486
139 1HDG NAD 0.0002943 0.47143 4.81928
140 1YKF NAP 0.004962 0.40916 4.82955
141 1KEV NDP 0.00151 0.4196 4.8433
142 1U1I NAD 0.004741 0.40097 4.84694
143 1C3V NDP 0.001366 0.42879 4.89796
144 3OND ADN 0.0008592 0.4095 4.91803
145 2NUN ADP 0.03948 0.41367 4.95356
146 1EZ4 NAD 0.00006017 0.49667 5.03145
147 1YS4 NAP 0.003582 0.43432 5.08475
148 3KB6 NAD 0.001078 0.44132 5.08982
149 3H8V ATP 0.0004822 0.48574 5.13699
150 1GV0 NAD 0.0001708 0.46738 5.16129
151 1SOW NAD 0.0004224 0.44585 5.18293
152 4RDH AMP 0.001047 0.47848 5.20833
153 3JUC PCA 0.04209 0.41991 5.22876
154 3B20 NAD 0.0006435 0.46043 5.30973
155 3B1J NAD 0.0008509 0.43964 5.30973
156 2AG8 NAP 0.0007435 0.4687 5.32319
157 4V3I ASP LEU THR ARG PRO 0.04117 0.41943 5.44747
158 1KYQ NAD 0.0001617 0.51318 5.47445
159 1Y8Q ATP 0.01035 0.40826 5.49133
160 3JV7 NAD 0.0008164 0.44036 5.50725
161 2D2F ADP 0.008857 0.45848 5.6
162 4GKV NAD 0.001862 0.41619 5.65476
163 1Z82 NDP 0.00662 0.40891 5.67164
164 4MDB RLT 0.02417 0.42442 5.77778
165 3WCZ CIT 0.008913 0.42704 5.84416
166 4DPL NAP 0.007339 0.40238 5.84958
167 3C7A NAD 0.04262 0.40492 5.94059
168 1GR0 NAD 0.001247 0.42271 5.99455
169 1X7D NAD 0.0003513 0.45807 6
170 1X7D ORN 0.001485 0.41298 6
171 2WPF WPF 0.00241 0.42162 6.06061
172 2WPF FAD 0.003922 0.41247 6.06061
173 1V59 NAD 0.002498 0.46868 6.06695
174 1J5P NAD 0.0002265 0.46915 6.32411
175 1PZG A3D 0.002365 0.40573 6.34441
176 1XPJ TLA 0.02664 0.42862 6.34921
177 1H2B NAJ 0.001184 0.42603 6.40669
178 1P1C SAH 0.002239 0.44018 6.53266
179 1O6Z NAD 0.0008537 0.45513 6.60066
180 1CDO NAD 0.001108 0.44385 6.68449
181 4K28 NAD 0.0004161 0.46504 6.69145
182 5V4R MGT 0.03176 0.42387 6.79012
183 4XDY NAI 0.007148 0.41001 6.80473
184 2VWA PTY 0.001842 0.49541 6.93069
185 2NU8 COA 0.00394 0.42083 6.94444
186 4YMH SAH 0.02329 0.40035 7.08333
187 2DT5 NAD 0.002024 0.42732 7.109
188 5OCA 9QZ 0.0046 0.4598 7.14286
189 1TV5 N8E 0.04831 0.41259 7.22348
190 1WP4 NDP 0.00424 0.41687 7.26644
191 2CVZ NDP 0.008782 0.40626 7.26644
192 3GFB NAD 0.001134 0.44042 7.42857
193 4YCA NDP 0.0002503 0.47083 7.48299
194 1O94 ADP 0.0004148 0.46867 7.57576
195 1NYT NAP 0.002883 0.42934 7.74908
196 3B1F NAD 0.0005852 0.46954 7.93103
197 1ZQ9 SAM 0.009664 0.42406 8.07018
198 1YRE COA 0.01962 0.41243 8.12183
199 1GQ2 NAP 0.00001718 0.51103 8.18363
200 1FWV SGA MAG FUC 0.005106 0.47335 8.20895
201 2YVJ NAI 0.002396 0.45278 8.25688
202 3L4S NAD 0.0006136 0.4396 8.33333
203 3L4S 3PG 0.0007459 0.43366 8.33333
204 2DFV NAD 0.0008597 0.44536 8.35735
205 1I0Z NAI 0.0002215 0.46289 8.40841
206 1CER NAD 0.0003766 0.46342 8.45921
207 1KOL NAD 0.0005703 0.43033 8.54271
208 5CAE COA 0.002104 0.43821 8.60759
209 2Q0L NAP 0.002918 0.45654 8.68167
210 3NGL NAP 0.0004346 0.47932 8.69565
211 1JAY NAP 0.02048 0.4003 8.96226
212 1OMO NAD 0.0001758 0.48477 9.00621
213 2YYY NAP 0.0008893 0.44177 9.0379
214 3CBG SAH 0.0109 0.42483 9.05172
215 2HJR APR 0.000208 0.48554 9.14634
216 2HNK SAH 0.02513 0.40148 9.62343
217 3QV1 NAD 0.001438 0.43334 9.7561
218 1LSS NAD 0.001337 0.45709 10
219 3R51 MMA 0.01887 0.4123 10
220 3VYW SAM 0.02232 0.40119 10.0649
221 1E3I CXF 0.003226 0.40295 10.1064
222 5JE8 NAD 0.000193 0.47921 10.2649
223 1J49 NAD 0.0004895 0.45225 10.8108
224 1DXY NAD 0.0001327 0.48232 11.1111
225 2VOH CIT 0.00848 0.46588 11.465
226 5E5U MLI 0.02885 0.43699 11.5578
227 2HMT NAI 0.004558 0.42963 12.5
228 1UXG NAD 0.001375 0.41199 12.945
229 4II2 ATP 0.009438 0.41835 13.253
230 1A5Z NAD 0.0002993 0.48256 14.4201
231 3N7S 3N7 0.01723 0.44451 20.8333
232 1BW9 NAD 0.0000003757 0.61231 32.0225
233 1BXG NAD 0.00000001845 0.48948 32.0225
234 1C1X NAD 0.00000001216 0.65087 32.1127
235 5GUD 2IT 0.000000001026 0.63373 38.2166
236 5GUD NDP 0.000000001279 0.61999 38.2166
237 5GUD CIT 0.0000006122 0.53825 38.2166
Pocket No.: 5; Query (leader) PDB : 3ETG; Ligand: GWD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3etg.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3ETG; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3etg.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3ETG; Ligand: GWD; Similar sites found: 31
This union binding pocket(no: 7) in the query (biounit: 3etg.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4JD3 COA 0.01142 0.42459 1.13314
2 4J6C STR 0.01251 0.40754 1.21951
3 2Q8H TF4 0.009317 0.43948 1.9656
4 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.0006665 0.42029 1.96721
5 3KO0 TFP 0.01803 0.40227 1.9802
6 4RW3 PLM 0.004051 0.41116 1.98676
7 2Z7I 742 0.02029 0.42806 2.05882
8 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.0005759 0.47296 2.86885
9 3W68 4PT 0.02484 0.40436 3.38346
10 1KDK DHT 0.03911 0.40295 3.38983
11 5K7H IVC 0.008686 0.4066 3.4632
12 1U25 IHS 0.01152 0.42367 3.85757
13 1YOK P6L 0.002952 0.44686 3.90625
14 5JNN 6LM 0.01039 0.40631 4.21053
15 1JGS SAL 0.03859 0.40513 5.07246
16 5AAV GW5 0.01584 0.42644 5.15873
17 4UCC ZKW 0.006732 0.42748 5.5794
18 3AQT RCO 0.01312 0.41789 5.71429
19 5NTW 98N 0.006968 0.42293 5.83658
20 4ZOM 4Q3 0.04555 0.41191 6.66667
21 5V4R MGT 0.01735 0.40946 6.79012
22 2VWA PTY 0.02093 0.40103 6.93069
23 1HQS CIT 0.01767 0.40449 8.27423
24 4XRZ SI6 0.01134 0.40298 8.35073
25 5CSD ACD 0.02785 0.40279 9.43396
26 5BTX CMP 0.02265 0.40888 9.58904
27 3RV5 DXC 0.006411 0.42805 13.4831
28 3P9T TCL 0.01067 0.4066 14.1553
29 4NG2 OHN 0.01135 0.40295 16.8142
30 2XRH NIO 0.0007808 0.48429 17
31 3N7S 3N7 0.02467 0.40863 20.8333
Pocket No.: 8; Query (leader) PDB : 3ETG; Ligand: GTP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3etg.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3ETG; Ligand: NDP; Similar sites found: 108
This union binding pocket(no: 9) in the query (biounit: 3etg.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2X3N FAD 0.004606 0.40207 1.50376
2 4B4U NAP 0.001007 0.43865 1.65016
3 2I3G NAP 0.003423 0.42 1.70455
4 3WLE NAD 0.0009986 0.42884 1.75953
5 3V1Y NAD 0.0009152 0.45471 1.78042
6 4XYB NDP 0.002072 0.42151 1.79028
7 1WDK NAD 0.0004669 0.47778 1.79487
8 1DJN ADP 0.0007855 0.46764 1.79641
9 3OJO NAD 0.0001676 0.49774 1.85615
10 5LD5 NAD 0.0002196 0.49248 1.95531
11 5I39 FAD 0.002231 0.41159 1.96078
12 4RW3 PLM 0.03538 0.4289 1.98676
13 3GD4 NAD 0.0007839 0.46768 1.99601
14 1OBB NAD 0.002029 0.44596 2.08333
15 4KBA 1QM 0.0266 0.42907 2.1148
16 5GZ6 NDP 0.002932 0.44846 2.14724
17 5GZ6 7C3 0.002894 0.44221 2.14724
18 1X14 NAD 0.002325 0.46431 2.24439
19 1HYH NAD 0.0002285 0.46716 2.26537
20 4HXY NDP 0.009128 0.40287 2.28311
21 1XHC FAD 0.004292 0.4052 2.45232
22 1MV8 NAD 0.0001402 0.48949 2.52294
23 1MUU NAD 0.0002065 0.48596 2.52294
24 3S5W NAP 0.004706 0.45302 2.59179
25 3S5W FAD 0.008642 0.40383 2.59179
26 1F8G NAD 0.02519 0.40227 2.60417
27 1D1T NAD 0.0009621 0.43944 2.68097
28 2PV7 NAD 0.002114 0.43635 2.68456
29 2J5V PCA 0.02277 0.44673 2.7248
30 2RGJ FAD 0.00336 0.41567 2.73632
31 5VN0 NAI 0.004489 0.4252 2.79441
32 3ORF NAD 0.009521 0.40429 2.79441
33 4PPF FLC 0.04996 0.43145 2.85714
34 1P77 ATR 0.0006402 0.52426 2.94118
35 3IHG FAD 0.006117 0.4145 2.99401
36 1K3T BRZ 0.001221 0.4328 3.06407
37 3OA2 NAD 0.01048 0.40479 3.14465
38 2HK9 ATR 0.0008544 0.50543 3.27273
39 2HK9 NAP 0.005357 0.42192 3.27273
40 1E5Q NDP 0.006406 0.41367 3.33333
41 1X87 NAD 0.007092 0.4247 3.39321
42 5TUK FAD 0.003 0.42996 3.43137
43 4FE2 ADP 0.03435 0.41573 3.52941
44 2G5C NAD 0.001917 0.4327 3.55872
45 1LJ8 NAD 0.003581 0.44117 3.65112
46 1M2W NAD 0.00589 0.42833 3.65112
47 2CVQ NDP 0.0009524 0.44794 3.66972
48 4WCX MET 0.03996 0.41122 3.75
49 2DC1 NAD 0.000842 0.45315 3.81356
50 5MDH NAD 0.002247 0.43524 3.9039
51 2GV8 NDP 0.002291 0.44363 4.02685
52 5H81 NAP 0.002112 0.45165 4.11311
53 3L9W GSH 0.002506 0.43056 4.11622
54 3L9W AMP 0.003811 0.41813 4.11622
55 5TUF FAD 0.004482 0.41301 4.15648
56 1NPD NAD 0.01376 0.40917 4.16667
57 2VYN NAD 0.0003703 0.46491 4.19162
58 4CJX NAP 0.00002882 0.52306 4.38871
59 3ICT ADP 0.001315 0.49027 4.39122
60 1WB4 SXX 0.02524 0.43372 4.39122
61 4OOE NDP 0.002121 0.43912 4.45545
62 5FI3 NAP 0.003559 0.42174 4.48179
63 4JK3 NAD 0.000276 0.47694 4.6332
64 2D2I NAP 0.0007204 0.46933 4.73684
65 1YKF NAP 0.004225 0.41871 4.82955
66 3KB6 NAD 0.001537 0.44217 5.08982
67 4RDH AMP 0.001517 0.47773 5.20833
68 3B20 NAD 0.0008778 0.46202 5.30973
69 1KYQ NAD 0.0002178 0.51492 5.47445
70 1Y8Q ATP 0.01377 0.40916 5.49133
71 4XLI 1N1 0.04453 0.40658 5.59701
72 4GKV NAD 0.002744 0.41682 5.65476
73 1Z82 NDP 0.00805 0.41191 5.67164
74 4DPL NAP 0.01013 0.4032 5.84958
75 2BOS GLA GAL GLC NBU 0.03935 0.41538 5.88235
76 1V59 NAD 0.003396 0.46868 6.06695
77 1XPJ TLA 0.03255 0.42867 6.34921
78 1CDO NAD 0.00114 0.45064 6.68449
79 4K28 NAD 0.0006731 0.4637 6.69145
80 4XDY NAI 0.01042 0.40954 6.80473
81 2AHR NAP 0.009829 0.40158 6.94981
82 2DT5 NAD 0.002665 0.42945 7.109
83 5OCA 9QZ 0.005843 0.4598 7.14286
84 1TV5 N8E 0.03533 0.42745 7.22348
85 2CVZ NDP 0.01209 0.40678 7.26644
86 3GFB NAD 0.001811 0.43917 7.42857
87 4YCA NDP 0.0003868 0.47068 7.48299
88 1NYT NAP 0.004545 0.42768 7.74908
89 1FWV SGA MAG FUC 0.007156 0.47152 8.20895
90 3L4S NAD 0.0002133 0.46528 8.33333
91 3L4S 3PG 0.0002399 0.46031 8.33333
92 1CER NAD 0.0006259 0.46176 8.45921
93 5CAE COA 0.003184 0.43731 8.60759
94 2Q0L NAP 0.002553 0.46637 8.68167
95 3NGL NAP 0.000635 0.47936 8.69565
96 1OMO NAD 0.0003098 0.48198 9.00621
97 2YYY NAP 0.0008742 0.44948 9.0379
98 1LSS NAD 0.001473 0.46236 10
99 1E3I CXF 0.00223 0.41582 10.1064
100 5JE8 NAD 0.0001915 0.48739 10.2649
101 1J49 NAD 0.0007063 0.45331 10.8108
102 4II2 ATP 0.01338 0.41771 13.253
103 1BXG NAD 0.00000003729 0.44821 32.0225
104 1BW9 NAD 0.0000004616 0.40494 32.0225
105 1C1X NAD 0.00000002475 0.4501 32.1127
106 5GUD 2IT 0.00000000000004119 0.8084 38.2166
107 5GUD NDP 0.00000000000007416 0.7845 38.2166
108 5GUD CIT 0.00000001834 0.60544 38.2166
Pocket No.: 10; Query (leader) PDB : 3ETG; Ligand: GLU; Similar sites found: 252
This union binding pocket(no: 10) in the query (biounit: 3etg.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4K5S FAD 0.007984 0.401 1.1976
2 1F8F NAD 0.003996 0.43011 1.34771
3 2X3N FAD 0.004425 0.40272 1.50376
4 9LDB NAD 0.0002112 0.46854 1.50602
5 2BH9 NAP 0.03334 0.41004 1.63599
6 4B4U NAP 0.0009899 0.43895 1.65016
7 1VI2 NAD 0.0164 0.41087 1.66667
8 2OG2 MLI 0.01495 0.43988 1.67131
9 2I3G NAP 0.002966 0.4225 1.70455
10 1WPQ NAD 0.01517 0.4098 1.7192
11 3WLE NAD 0.0009598 0.42948 1.75953
12 4MP8 NAD 0.0007246 0.43164 1.76991
13 3V1Y NAD 0.0008996 0.45503 1.78042
14 4XYB NDP 0.00199 0.42218 1.79028
15 1WDK NAD 0.0004184 0.47992 1.79487
16 1DJN ADP 0.0007618 0.46824 1.79641
17 4KOA NDP 0.005611 0.44546 1.8018
18 3OJO NAD 0.0001556 0.4992 1.85615
19 4R5M NAP 0.003687 0.42361 1.8617
20 4R5M 4NO 0.008055 0.40506 1.8617
21 4XQC NAD 0.002192 0.40216 1.89474
22 5LD5 NAD 0.0002273 0.49181 1.95531
23 1HKU NAD 0.0005007 0.4535 1.95531
24 5I39 FAD 0.00233 0.4109 1.96078
25 1PL6 NAD 0.0007425 0.4762 1.96629
26 1PL6 572 0.0007238 0.44432 1.96629
27 3KO0 TFP 0.04642 0.40792 1.9802
28 4RW3 PLM 0.03403 0.43147 1.98676
29 3B9Q MLI 0.04052 0.41551 1.98676
30 3GD4 NAD 0.0006878 0.47023 1.99601
31 3Q3C NAD 0.003457 0.43574 2.00669
32 2B4R AES 0.0008079 0.44799 2.02899
33 2B4R NAD 0.0008143 0.44503 2.02899
34 1OBB NAD 0.002205 0.44436 2.08333
35 2GLX NDP 0.01273 0.41068 2.10843
36 1ZMD NAI 0.001231 0.45231 2.1097
37 4KBA 1QM 0.02633 0.42931 2.1148
38 5GZ6 NDP 0.003 0.44799 2.14724
39 5GZ6 7C3 0.002932 0.44195 2.14724
40 3SSO SAH 0.004626 0.43923 2.14797
41 5MQ6 NDP 0.02339 0.40128 2.19561
42 1DLJ NAI 0.0007199 0.40711 2.23881
43 1X14 NAD 0.002359 0.464 2.24439
44 1HYH NAD 0.0002158 0.46816 2.26537
45 4HXY NDP 0.008352 0.40443 2.28311
46 3PMA SCR 0.01966 0.43127 2.3166
47 1VKO NAD 0.00298 0.42002 2.39521
48 4RQU NAD 0.000472 0.46055 2.4
49 2QA1 FAD 0.005625 0.4028 2.4
50 1P0F NAP 0.005413 0.40976 2.41287
51 1LDM NAD 0.000339 0.46334 2.43161
52 1XHC FAD 0.004082 0.40601 2.45232
53 1F06 NDP 0.005152 0.4063 2.5
54 1MV8 NAD 0.0001514 0.48807 2.52294
55 1MUU NAD 0.0002323 0.48375 2.52294
56 3S5W NAP 0.004733 0.4529 2.59179
57 3S5W FAD 0.008451 0.40422 2.59179
58 1F8G NAD 0.0253 0.40218 2.60417
59 1D1T NAD 0.001066 0.43767 2.68097
60 2PV7 NAD 0.001911 0.4382 2.68456
61 1TB4 PEJ 0.009833 0.40372 2.69542
62 2J5V PCA 0.02543 0.44379 2.7248
63 2RGJ FAD 0.002887 0.41824 2.73632
64 1O0S NAI 0.0001223 0.50389 2.79441
65 5VN0 NAI 0.003813 0.42824 2.79441
66 3ORF NAD 0.01004 0.40335 2.79441
67 1LVL NAD 0.001863 0.45762 2.83843
68 1P77 ATR 0.0007704 0.51975 2.94118
69 3IHG FAD 0.006092 0.41458 2.99401
70 1UH4 GLC 0.02159 0.40744 2.99401
71 3BAZ NAP 0.001692 0.44632 3.003
72 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.04087 0.424 3.06122
73 1K3T BRZ 0.001232 0.43265 3.06407
74 3KLJ FAD 0.006133 0.40547 3.11688
75 2V3B FAD 0.003688 0.40563 3.125
76 1LTH NAD 0.00008885 0.5059 3.1348
77 3DUW SAH 0.02155 0.41071 3.13901
78 3OA2 NAD 0.009441 0.40668 3.14465
79 1XTP SAI 0.03805 0.40147 3.14961
80 4E13 NAD 0.0007439 0.47616 3.18021
81 2HK9 ATR 0.001239 0.49679 3.27273
82 2HK9 NAP 0.004774 0.42406 3.27273
83 3ABI NAD 0.001756 0.43426 3.28767
84 1DRV A3D 0.003987 0.43903 3.2967
85 1YJQ NAP 0.001405 0.43042 3.30033
86 1E5Q NDP 0.006419 0.41363 3.33333
87 1V8B NAD 0.0002571 0.45082 3.34029
88 1X87 NAD 0.007898 0.42259 3.39321
89 5TUK FAD 0.00307 0.42954 3.43137
90 2QMC GTB 0.04307 0.41384 3.44828
91 3GGO NAI 0.001492 0.40976 3.50318
92 4FE2 ADP 0.03489 0.41537 3.52941
93 2G5C NAD 0.002015 0.43181 3.55872
94 3AXB FAD 0.00141 0.42101 3.57143
95 3AXB PRO 0.001601 0.40871 3.57143
96 3WBF NAP 0.001783 0.43667 3.60656
97 3WBF API 0.002452 0.421 3.60656
98 1V6A TRE 0.001019 0.51653 3.61446
99 4E5N NAD 0.0007351 0.44681 3.63636
100 2GCG NDP 0.001256 0.44298 3.63636
101 1B8U NAD 0.0001643 0.50666 3.64742
102 1B8U OAA 0.000991 0.43893 3.64742
103 1LJ8 NAD 0.00376 0.44019 3.65112
104 1M2W NAD 0.006329 0.42693 3.65112
105 2CVQ NDP 0.0007018 0.45343 3.66972
106 2NVK NAP 0.01081 0.45529 3.68852
107 3TWO NDP 0.006173 0.40126 3.73563
108 2DC1 NAD 0.0007683 0.45483 3.81356
109 3VPH NAD 0.000285 0.4574 3.87097
110 3VPH OXM 0.0005424 0.44125 3.87097
111 4MDH NAD 0.00175 0.43981 3.89222
112 4PLG NAI 0.0008352 0.42937 3.89222
113 5MDH NAD 0.002234 0.43535 3.9039
114 1DIG NAP 0.001627 0.43042 3.92157
115 1DIG L37 0.002025 0.42424 3.92157
116 1VJT NAD 0.002729 0.4534 3.93375
117 1VQW FAD 0.008312 0.40032 3.93873
118 2GV8 NDP 0.002277 0.44374 4.02685
119 2GVC FAD 0.007636 0.40175 4.02685
120 1T26 NAI 0.001673 0.40805 4.03727
121 2A92 NAI 0.001216 0.43542 4.04984
122 1NVM NAD 0.0005385 0.45223 4.05797
123 2GZ3 NAP 0.002726 0.41693 4.09836
124 5H81 NAP 0.002786 0.44615 4.11311
125 3L9W GSH 0.001053 0.44614 4.11622
126 3L9W AMP 0.001757 0.43163 4.11622
127 5TUF FAD 0.004295 0.41374 4.15648
128 1NPD NAD 0.0135 0.40953 4.16667
129 3CGD FAD 0.001901 0.40355 4.16667
130 3CGD COA 0.001901 0.40355 4.16667
131 2VYN NAD 0.0003679 0.46503 4.19162
132 1SC6 NAD 0.001307 0.43417 4.20792
133 2F1K NAP 0.002098 0.43932 4.30108
134 3H9E NAD 0.0008033 0.45713 4.33526
135 4CJX NAP 0.00004337 0.51536 4.38871
136 3ICT ADP 0.00148 0.48757 4.39122
137 3ICS ADP 0.001766 0.48356 4.39122
138 1WB4 SXX 0.02481 0.43424 4.39122
139 4OOE NDP 0.002504 0.43604 4.45545
140 1HYE NAP 0.007643 0.42324 4.47284
141 5FI3 NAP 0.003134 0.424 4.48179
142 1DSS NAD 0.0005273 0.4683 4.5045
143 3WQQ NDP 0.002388 0.4046 4.5082
144 4JK3 NAD 0.0002761 0.47693 4.6332
145 4J4H 1J1 0.0007217 0.41855 4.6332
146 4J4H NAI 0.00132 0.40406 4.6332
147 1LLU NAD 0.0006425 0.44103 4.67836
148 2GSD NAD 0.002467 0.41636 4.72637
149 2D2I NAP 0.0007657 0.46464 4.73684
150 1C3M MAN MAN 0.04228 0.41632 4.7619
151 1Z6K OAA 0.02549 0.43072 4.77816
152 1HDG NAD 0.0004857 0.46985 4.81928
153 1YKF NAP 0.004316 0.41833 4.82955
154 1KEV NDP 0.0008123 0.43712 4.8433
155 1U1I NAD 0.006579 0.40222 4.84694
156 1C3V NDP 0.001128 0.43936 4.89796
157 3OND NAD 0.0014 0.40145 4.91803
158 2NUN ADP 0.04945 0.41404 4.95356
159 1EZ4 NAD 0.0001223 0.49202 5.03145
160 1YS4 NAP 0.004922 0.43484 5.08475
161 3KB6 NAD 0.001436 0.44341 5.08982
162 3H8V ATP 0.0008169 0.48234 5.13699
163 1GV0 NAD 0.0002794 0.46676 5.16129
164 1SOW NAD 0.0006441 0.44632 5.18293
165 4RDH AMP 0.001753 0.47457 5.20833
166 3B20 NAD 0.0008481 0.46268 5.30973
167 3B1J NAD 0.0009522 0.44508 5.30973
168 2AG8 NAP 0.001016 0.46986 5.32319
169 1KYQ NAD 0.000193 0.5175 5.47445
170 1Y8Q ATP 0.0179 0.40409 5.49133
171 3JV7 NAD 0.001268 0.44002 5.50725
172 4XLI 1N1 0.04346 0.40713 5.59701
173 2D2F ADP 0.01498 0.45159 5.6
174 4GKV NAD 0.002797 0.4165 5.65476
175 1Z82 NDP 0.0138 0.40203 5.67164
176 4DPL NAP 0.01119 0.40142 5.84958
177 1GR0 NAD 0.002165 0.42077 5.99455
178 1X7D NAD 0.0005821 0.45679 6
179 1X7D ORN 0.0002792 0.44688 6
180 1V59 NAD 0.004346 0.46306 6.06695
181 1J5P NAD 0.0003865 0.46736 6.32411
182 1PZG A3D 0.002072 0.41485 6.34441
183 1XPJ TLA 0.0338 0.42688 6.34921
184 3A06 NDP 0.001637 0.42544 6.38298
185 3A06 FOM 0.001586 0.42135 6.38298
186 1H2B NAJ 0.001715 0.42706 6.40669
187 1P1C SAH 0.003533 0.43831 6.53266
188 2Y6Q FAD 0.007564 0.404 6.53266
189 4WH9 3M8 0.03092 0.43955 6.55738
190 1O6Z NAD 0.001261 0.45507 6.60066
191 1CDO NAD 0.001262 0.44876 6.68449
192 4K28 NAD 0.0007189 0.46246 6.69145
193 5V4R MGT 0.03903 0.42382 6.79012
194 4XDY NAI 0.01061 0.4092 6.80473
195 2VWA PTY 0.00235 0.49622 6.93069
196 2NU8 COA 0.006068 0.4196 6.94444
197 2AHR NAP 0.009896 0.40146 6.94981
198 2DT5 NAD 0.003086 0.42682 7.109
199 5OCA 9QZ 0.005893 0.45939 7.14286
200 1TV5 N8E 0.01428 0.44809 7.22348
201 1WP4 NDP 0.005882 0.41765 7.26644
202 2CVZ NDP 0.01455 0.40332 7.26644
203 1VHT BA3 0.04376 0.40697 7.33945
204 3GFB NAD 0.001877 0.43852 7.42857
205 4YCA NDP 0.0004024 0.46995 7.48299
206 1O94 ADP 0.0006385 0.46812 7.57576
207 1NYT NAP 0.004442 0.42811 7.74908
208 3B1F NAD 0.0008594 0.46949 7.93103
209 1ZQ9 SAM 0.01327 0.4238 8.07018
210 1YRE COA 0.04066 0.40277 8.12183
211 1GQ2 NAP 0.00003234 0.50869 8.18363
212 1FWV SGA MAG FUC 0.007088 0.47109 8.20895
213 2YVJ NAI 0.002721 0.45711 8.25688
214 3L4S NAD 0.0002263 0.46427 8.33333
215 3L4S 3PG 0.0002458 0.4599 8.33333
216 2DFV NAD 0.001308 0.44511 8.35735
217 1I0Z NAI 0.0003212 0.4643 8.40841
218 1CER NAD 0.0005766 0.46328 8.45921
219 1KOL NAD 0.0008456 0.43153 8.54271
220 5CJF 520 0.04981 0.4071 8.60215
221 5CAE COA 0.003179 0.43734 8.60759
222 2Q0L NAP 0.002331 0.46836 8.68167
223 3NGL NAP 0.0006932 0.47759 8.69565
224 1OMO NAD 0.0003158 0.48161 9.00621
225 2YYY NAP 0.001004 0.44699 9.0379
226 3CBG SAH 0.0161 0.42282 9.05172
227 2HJR APR 0.0003025 0.48624 9.14634
228 2HJR CIT 0.03832 0.42024 9.14634
229 2HNK SAH 0.03462 0.40083 9.62343
230 3QV1 NAD 0.00235 0.43172 9.7561
231 1LSS NAD 0.001648 0.46009 10
232 3R51 MMA 0.02401 0.41128 10
233 1E3I CXF 0.002402 0.41462 10.1064
234 5JE8 NAD 0.0001876 0.48777 10.2649
235 1J49 NAD 0.0006578 0.45459 10.8108
236 1DXY NAD 0.000205 0.48245 11.1111
237 2VOH CIT 0.009254 0.47147 11.465
238 2HMT NAI 0.007098 0.42756 12.5
239 1UXG NAD 0.0008051 0.42765 12.945
240 4II2 ATP 0.01434 0.41629 13.253
241 1A5Z NAD 0.0003727 0.48606 14.4201
242 2CUL FAD 0.00302 0.41303 18.1034
243 3N7S 3N7 0.0219 0.4444 20.8333
244 1BW9 PPY 0.00000005318 0.71048 32.0225
245 1BW9 NAD 0.0000005088 0.61687 32.0225
246 1BXG NAD 0.00000004652 0.44578 32.0225
247 1C1X HFA 0.0000002818 0.68228 32.1127
248 1C1X NAD 0.00000002971 0.64629 32.1127
249 5GUD 2IT 0.00000000000004086 0.80853 38.2166
250 5GUD NDP 0.00000000000007405 0.78451 38.2166
251 5GUD CIT 0.00000001822 0.60555 38.2166
252 1BGV GLU 0.000000005427 0.81825 44.9889
Pocket No.: 11; Query (leader) PDB : 3ETG; Ligand: GTP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3etg.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3ETG; Ligand: GTP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3etg.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3ETG; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3etg.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3ETG; Ligand: GWD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3etg.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3ETG; Ligand: GWD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3etg.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3ETG; Ligand: GTP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3etg.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3ETG; Ligand: GLU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 3etg.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 3ETG; Ligand: GLU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 3etg.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 3ETG; Ligand: GTP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 3etg.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 3ETG; Ligand: GLU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 3etg.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 3ETG; Ligand: GLU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 3etg.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 3ETG; Ligand: GLU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 3etg.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 3ETG; Ligand: GWD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 3etg.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 3ETG; Ligand: GWD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 3etg.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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