Receptor
PDB id Resolution Class Description Source Keywords
1N7G 2.2 Å EC: 4.2.1.47 CRYSTAL STRUCTURE OF THE GDP-MANNOSE 4,6-DEHYDRATASE TERNARY COMPLEX WITH NADPH AND GDP-RHAMNOSE. ARABIDOPSIS THALIANA ROSSMANN FOLD SDR SHORT-CHAIN DEHYDROGENASE/REDUCTASE LYASE
Ref.: THE STRUCTURE OF THE MUR1 GDP-MANNOSE 4,6-DEHYDRATASE FROM A. THALIANA: IMPLICATIONS FOR LIGAND BINDING AND SPECIFICITY. BIOCHEMISTRY V. 41 15557 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDR A:801;
A:802;
A:803;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
589.342 C16 H25 N5 O15 P2 C[C@@...
NDP A:701;
B:702;
C:703;
D:704;
Valid;
Valid;
Valid;
Valid;
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
1N7G 2.2 Å EC: 4.2.1.47 CRYSTAL STRUCTURE OF THE GDP-MANNOSE 4,6-DEHYDRATASE TERNARY COMPLEX WITH NADPH AND GDP-RHAMNOSE. ARABIDOPSIS THALIANA ROSSMANN FOLD SDR SHORT-CHAIN DEHYDROGENASE/REDUCTASE LYASE
Ref.: THE STRUCTURE OF THE MUR1 GDP-MANNOSE 4,6-DEHYDRATASE FROM A. THALIANA: IMPLICATIONS FOR LIGAND BINDING AND SPECIFICITY. BIOCHEMISTRY V. 41 15557 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1N7H - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 1N7G - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1N7H - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 1N7G - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1RPN - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 2PK3 - GDD C16 H25 N5 O16 P2 c1nc2c(n1[....
3 1N7H - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 1N7G - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 5IN4 Kd = 11 uM 6CK C16 H22 F3 N5 O15 P2 c1nc2c(n1[....
6 1T2A - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 5IN5 Kd = 35 uM GFB C16 H25 N5 O15 P2 C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDR; Similar ligands found: 99
No: Ligand ECFP6 Tc MDL keys Tc
1 GFB 1 1
2 GDR 1 1
3 JB2 0.826531 1
4 GDC 0.804124 0.974359
5 GDD 0.804124 0.974359
6 GKE 0.804124 0.974359
7 GDX 0.8 0.987013
8 JB3 0.796117 0.987179
9 6CK 0.787879 0.95
10 GPD 0.764706 0.9625
11 GP3 0.747253 0.961538
12 G1R 0.726316 0.974026
13 GKD 0.721154 0.974359
14 GDP 0.72043 0.961039
15 GSP 0.71875 0.91358
16 GTP 0.715789 0.961039
17 GNH 0.712766 0.948718
18 GCP 0.690722 0.936709
19 GNP 0.683673 0.936709
20 GMV 0.680412 0.936709
21 G2R 0.666667 0.925
22 5GP 0.666667 0.948052
23 G 0.666667 0.948052
24 Y9Z 0.650943 0.892857
25 GTG 0.64486 0.95
26 G4M 0.637795 0.916667
27 GP2 0.632653 0.925
28 GPG 0.628571 0.949367
29 G3A 0.623853 0.961538
30 GAV 0.621359 0.925
31 GDP MG 0.62 0.888889
32 G5P 0.618182 0.961538
33 G2P 0.617647 0.925
34 GDP BEF 0.613861 0.86747
35 YGP 0.611111 0.914634
36 ALF 5GP 0.598039 0.857143
37 BEF GDP 0.596154 0.857143
38 GTP MG 0.596154 0.888889
39 GCP G 0.590476 0.9
40 CAG 0.586777 0.894118
41 GDP ALF 0.579439 0.857143
42 GDP AF3 0.579439 0.857143
43 NGD 0.576271 0.949367
44 2MD 0.575 0.882353
45 0O2 0.568807 0.948052
46 GMP 0.565217 0.846154
47 G G 0.563636 0.924051
48 FEG 0.563025 0.915663
49 U2G 0.563025 0.925926
50 MGD 0.560976 0.882353
51 G4P 0.560748 0.948052
52 ZGP 0.558333 0.882353
53 G3D 0.556604 0.948052
54 GDP 7MG 0.547826 0.925
55 CG2 0.540984 0.925926
56 TPG 0.534884 0.853933
57 MD1 0.53125 0.882353
58 PGD 0.53125 0.914634
59 FE9 0.523438 0.789474
60 3GP 0.514852 0.910256
61 DBG 0.51145 0.9375
62 I2C FE2 CMO CMO 0.496124 0.822222
63 GH3 0.495495 0.935897
64 G1R G1R 0.488722 0.9375
65 2GP 0.485437 0.923077
66 G1G 0.480916 0.938272
67 U A G G 0.48062 0.924051
68 ADQ 0.477876 0.886076
69 DGT 0.477477 0.888889
70 IDP 0.476636 0.935065
71 PGD O 0.474074 0.842697
72 GPX 0.473684 0.910256
73 G A A A 0.472868 0.9125
74 DGI 0.46789 0.888889
75 JBT 0.465517 0.810526
76 BGO 0.464567 0.962025
77 MGP 0.459459 0.949367
78 6G0 0.455357 0.949367
79 GGM 0.453846 0.938272
80 TRH 0.448276 0.724138
81 1JB 0.448276 0.724138
82 18T 0.448276 0.724138
83 GPC 0.443609 0.870588
84 G G U 0.443548 0.924051
85 P2G 0.435185 0.873418
86 GTA 0.432 0.95
87 G C 0.431818 0.890244
88 IMP 0.429907 0.922078
89 P1G 0.427273 0.8625
90 DGP 0.425926 0.876543
91 DG 0.425926 0.876543
92 G2Q 0.420168 0.925
93 U G A 0.418919 0.879518
94 G7M 0.412844 0.936709
95 G G G RPC 0.410448 0.865854
96 01G 0.403226 0.892857
97 G G G C 0.402878 0.902439
98 A2D 0.401869 0.884615
99 A G C C 0.4 0.901235
Ligand no: 2; 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 : 1N7G; 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: 1n7g.bio1) has 57 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1N7G; 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: 1n7g.bio1) has 66 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1N7G; 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: 1n7g.bio1) has 57 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1N7G; Ligand: GDR; Similar sites found: 289
This union binding pocket(no: 4) in the query (biounit: 1n7g.bio1) has 55 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.04959 0.41117 None
2 2FR1 NDP 0.0000002704 0.58215 1.04987
3 3ABI NAD 0.002675 0.42838 1.09589
4 1NT4 G1P 0.03248 0.43116 1.31234
5 3EB9 FLC 0.04244 0.41215 1.50376
6 3HB5 NAP 0.0000002514 0.52148 1.52905
7 3OJO NAD 0.009289 0.42088 1.5748
8 3WXB NDP 0.0000004548 0.57785 1.79211
9 1MXH DHF 0.00001108 0.41982 1.81159
10 1MXH NAP 0.00002318 0.41193 1.81159
11 1A5Z NAD 0.001332 0.46243 1.88088
12 2EXX NAP 0.0004577 0.44842 1.96078
13 1W8D NAP 0.000001545 0.5858 1.98676
14 1W73 NAP 0.000001574 0.58544 1.98676
15 4YAG NAI 0.00002269 0.42148 2.07612
16 2NU8 COA 0.007139 0.41806 2.09974
17 4EIL FOL 0.0223 0.41718 2.09974
18 1LJ8 NAD 0.0153 0.41366 2.09974
19 1M2W NAD 0.01464 0.41192 2.09974
20 1DSS NAD 0.01579 0.40552 2.1021
21 1ZBQ NAD 0.00003617 0.4977 2.14067
22 1WMA NDP 0.0000101 0.43375 2.17391
23 1WMA AB3 0.0000101 0.43375 2.17391
24 1ZEM NAD 0.0000003477 0.41842 2.29008
25 3MJE NDP 0.000001104 0.41783 2.3622
26 3ORF NAD 0.00001751 0.52174 2.39044
27 3A06 NDP 0.00542 0.40697 2.39362
28 4KOA NDP 0.04844 0.40025 2.4024
29 4D42 NAP 0.00004203 0.42897 2.48227
30 4D42 W0I 0.00004203 0.42897 2.48227
31 3GGO NAI 0.002453 0.40578 2.54777
32 4J1Q NDP 0.00000017 0.42855 2.58621
33 3QWI CUE 0.00003103 0.41693 2.59259
34 3QWI NAP 0.00002539 0.4009 2.59259
35 1VL8 NAP 0.0000004 0.57083 2.62172
36 4OOE NDP 0.004643 0.4261 2.62467
37 2WYV NAD 0.00004262 0.50197 2.68199
38 1NFQ NAI 0.0000003109 0.44205 2.69231
39 3OJF IMJ 0.0000202 0.42231 2.72374
40 3OJF NDP 0.00003485 0.40212 2.72374
41 4K26 NDP 0.0000008426 0.56705 2.89855
42 4K26 SFF 0.000001783 0.52264 2.89855
43 4PVD NDP 0.0000009699 0.41372 2.92398
44 1YJQ NAP 0.003864 0.41484 2.9703
45 4NBW NAD 0.0000007632 0.41847 3.11284
46 3RJ5 NAD 0.0000006018 0.54341 3.14961
47 1BDB NAD 0.00001048 0.51533 3.2491
48 5DOZ NDP 0.009045 0.40034 3.25444
49 1HDG NAD 0.02082 0.40023 3.31325
50 2CVQ NDP 0.003583 0.42568 3.36391
51 1D7O NAD 0.00007367 0.47006 3.367
52 1I2B NAD 0.00000004922 0.52229 3.41207
53 3V1U NAD 0.0000008263 0.40899 3.41207
54 1I2B USQ 0.005108 0.40242 3.41207
55 1I2B UPG 0.005108 0.40242 3.41207
56 2ZAT NAP 0.00001377 0.52205 3.46154
57 2HMT NAI 0.007494 0.42796 3.47222
58 3V1Y NAD 0.01267 0.40733 3.56083
59 2F1K NAP 0.009734 0.41226 3.58423
60 4PLG NAI 0.00205 0.41663 3.59281
61 1US2 XYP XYP XYP XYP 0.03363 0.42474 3.67454
62 1DRV A3D 0.01278 0.41727 3.67454
63 1PR9 NAP 0.000001296 0.42921 3.68852
64 3D3W NAP 0.000002321 0.42378 3.68852
65 1XSE NDP 0.0000002646 0.54861 3.72881
66 2DT5 NAD 0.01103 0.40531 3.79147
67 3B1F NAD 0.005819 0.43302 3.7931
68 4RDH AMP 0.03494 0.41033 3.81944
69 3ICC NAP 0.00000634 0.52774 3.92157
70 5ITV NAI 0.00000237 0.41863 3.92157
71 5H81 NAP 0.01441 0.41486 3.93701
72 1J5P NAD 0.002391 0.43569 3.95257
73 4FC7 NAP 0.000001832 0.45123 3.97112
74 4FC7 COA 0.000001832 0.45123 3.97112
75 2CFC NAD 0.0000009994 0.57342 4
76 1LTH NAD 0.002492 0.44359 4.07523
77 4ITU NAI 0.00000181 0.54518 4.08922
78 4ITU 1HS 0.000001254 0.5178 4.08922
79 4HXY NDP 0.0000003604 0.43336 4.10959
80 1H5Q NAP 0.000002761 0.54627 4.15094
81 1WP4 NDP 0.004588 0.42372 4.15225
82 2CVZ NDP 0.009008 0.41372 4.15225
83 3JQA NAP 0.000007678 0.54096 4.16667
84 3JQB NAP 0.0000104 0.5354 4.16667
85 3JQG NAP 0.00001113 0.53416 4.16667
86 4CM8 NAP 0.00000941 0.53296 4.16667
87 3JQF NAP 0.000007546 0.53274 4.16667
88 5JCJ NAP 0.00001053 0.53093 4.16667
89 3BMO NAP 0.00001104 0.53006 4.16667
90 4CM4 NAP 0.00001111 0.52995 4.16667
91 3BMQ NAP 0.000008946 0.52971 4.16667
92 4CMI NAP 0.00001234 0.52807 4.16667
93 3JQ7 NAP 0.00001732 0.52605 4.16667
94 3JQ8 NAP 0.0000154 0.52006 4.16667
95 3BMN NAP 0.00001586 0.51954 4.16667
96 2DTX BMA 0.0000004868 0.45839 4.16667
97 4KWI NAP 0.0000006178 0.53553 4.18251
98 4KWI 1TJ 0.0000007063 0.5299 4.18251
99 4U7W NDP 0.000000003925 0.4662 4.19948
100 2BH9 NAP 0.006329 0.44804 4.19948
101 2AE2 NAP 0.000001793 0.44836 4.23077
102 2AE2 PTO 0.000001793 0.44836 4.23077
103 1FK8 NAD 0.00000496 0.55838 4.28016
104 2DKN NAI 0.000002165 0.55948 4.31373
105 1GZ6 NAI 0.0000418 0.49871 4.38871
106 1AE1 NAP 0.00001505 0.40645 4.3956
107 1O5I NAD 0.0006081 0.486 4.41767
108 1MUU NAD 0.002862 0.43798 4.46194
109 2VZ0 D64 0.0002522 0.42755 4.47761
110 2VZ0 NAP 0.0002522 0.42755 4.47761
111 2BD0 NAP 0.000002465 0.54403 4.5082
112 1HYH NAD 0.00838 0.40584 4.53074
113 1UAY ADN 0.0001487 0.53577 4.54545
114 1TB4 PEJ 0.00554 0.41541 4.58221
115 1G0N PHH 0.000002152 0.44757 4.59364
116 1G0N NDP 0.000001197 0.44649 4.59364
117 1OAA OAA 0.000004371 0.49598 4.6332
118 5JE8 NAD 0.008024 0.41841 4.63576
119 4TQG NDP 0.00000004402 0.44969 4.64396
120 1EZ4 NAD 0.001217 0.45108 4.71698
121 4PIV NDP 0.000001018 0.4224 4.72441
122 1X14 NAD 0.01763 0.42227 4.72441
123 4MDH NAD 0.001006 0.45157 4.79042
124 5MDH NAD 0.0005292 0.46335 4.8048
125 3O03 NAP 0.0000005414 0.41595 4.811
126 3T4L ZEA 0.03177 0.40948 4.81482
127 4QED NAP 0.000002195 0.41552 4.83871
128 3RKR NAP 0.0002388 0.53685 4.96183
129 1E3W NAD 0.0000003967 0.58509 4.98084
130 1U7T NAD 0.0000007869 0.58273 4.98084
131 1U7T TDT 0.0000006157 0.53199 4.98084
132 1URS MLR 0.04396 0.41133 4.98688
133 3ICS ADP 0.0489 0.40884 4.98688
134 1E6W NAD 0.0000003814 0.58579 5
135 3VZS NAP 0.0000006113 0.52181 5.05837
136 3VZS CAA 0.00001757 0.42672 5.05837
137 2Q2V NAD 0.000004804 0.41873 5.09804
138 1I0Z NAI 0.0006834 0.45265 5.1051
139 4NBU NAI 0.0000007467 0.56917 5.2
140 3H4V DVP 0.00001619 0.42678 5.20833
141 3H4V NAP 0.00001684 0.42405 5.20833
142 4J7U YTZ 0.00001958 0.42366 5.20833
143 4J7U NAP 0.00001958 0.42366 5.20833
144 2EWM NAD 0.00001109 0.52193 5.22088
145 1E7S NAP 0.00000002284 0.47037 5.29595
146 3AI3 SOL 0.01211 0.45393 5.32319
147 3BAZ NAP 0.006933 0.42118 5.40541
148 4NBT NAD 0.0000008549 0.57624 5.41667
149 9LDB NAD 0.001679 0.43403 5.42169
150 3OID NDP 0.000005414 0.41352 5.42636
151 2B4Q NAP 0.00001211 0.52433 5.43478
152 3P2H MTA 0.04697 0.41772 5.47264
153 3SJ7 NDP 0.0000008385 0.4189 5.55556
154 4K28 NAD 0.02054 0.40281 5.57621
155 1YXM ADE 0.0004032 0.52927 5.61056
156 2GDZ NAD 0.000005111 0.40806 5.61798
157 1BW9 NAD 0.02701 0.40222 5.61798
158 1JAY NAP 0.004559 0.43789 5.66038
159 3OA2 NAD 0.01237 0.40323 5.66038
160 1PZG A3D 0.001854 0.41823 5.74018
161 2OOR NAD 0.02958 0.40038 5.74713
162 1XF1 CIT 0.02383 0.43942 5.77428
163 1V35 NAI 0.00004906 0.46535 5.77508
164 2HJR APR 0.0002367 0.49282 5.79268
165 3AFN NAP 0.000004157 0.41793 5.81395
166 1GEG NAD 0.000004433 0.54219 5.85938
167 5CG1 NAD BBN 0.0009886 0.40005 5.90164
168 5T2U NAP 0.000003384 0.41881 6.04839
169 2JAP NDP 0.000002982 0.54492 6.07287
170 2JAH NDP 0.000005516 0.53416 6.07287
171 3NUG NAD 0.0000003882 0.43508 6.07287
172 3H8V ATP 0.01028 0.43063 6.16438
173 3A28 NAD 0.0000006121 0.57738 6.20155
174 4OHU 2TK 0.00001474 0.45063 6.22837
175 4OHU NAD 0.00001474 0.45063 6.22837
176 5THQ NDP 0.0000003375 0.43311 6.25
177 1IY8 NAD 0.0000005425 0.57476 6.36704
178 1LDM NAD 0.001854 0.4349 6.38298
179 1XHL NDP 0.000006256 0.4113 6.39731
180 2C1P FNZ 0.02421 0.42882 6.45161
181 2RH4 EMO 0.0000005078 0.52121 6.4982
182 5MSO NAP 0.0000000009824 0.47617 6.56168
183 5SWI BMA 0.01003 0.41894 6.56168
184 1KYQ NAD 0.008002 0.43932 6.56934
185 3ZV6 NAD 0.000005267 0.49932 6.76157
186 3ZV6 4HB 0.000005469 0.49567 6.76157
187 3VPH NAD 0.001206 0.43465 6.77419
188 3VPH OXM 0.001667 0.42442 6.77419
189 1QG6 TCL 0.0000577 0.41433 6.89655
190 1QG6 NAD 0.0000577 0.41433 6.89655
191 1V6A TRE 0.03557 0.4274 6.92771
192 1N5D NDP 0.000002168 0.55051 6.94444
193 4CQM NAP 0.0000007842 0.57298 6.96721
194 1EDO NAP 0.00000252 0.41999 6.96721
195 1PL6 NAD 0.02085 0.41005 7.02247
196 1C3V NDP 0.007007 0.40898 7.34694
197 4R5M NAP 0.003433 0.42645 7.34908
198 4R5M 4NO 0.005847 0.41216 7.34908
199 1NVM NAD 0.007102 0.40874 7.37179
200 1CER NAD 0.009083 0.41356 7.55287
201 3CH6 311 0.00000194 0.48218 8.04196
202 3CH6 NAP 0.00000194 0.48218 8.04196
203 1Y1P NMN AMP PO4 0.000001192 0.4022 8.18713
204 4FN4 NAD 0.000006847 0.53447 8.26772
205 4DPL NAP 0.00273 0.42801 8.6351
206 1E5Q NDP 0.003362 0.42683 8.66142
207 1GQ2 NAP 0.01449 0.40036 8.66142
208 3I9U DTU 0.03589 0.42101 8.74525
209 4XDY NAI 0.007626 0.41683 8.87574
210 3AY6 NAI 0.000002392 0.52512 8.92193
211 3AY6 BGC 0.00004057 0.44837 8.92193
212 1XG5 NAP 0.000007911 0.52785 8.92388
213 3I6I NDP 0.0001259 0.45874 9.18635
214 1GEE NAD 0.000001086 0.56719 9.1954
215 3OIG NAD 0.00003881 0.51126 9.71129
216 1O6Z NAD 0.002348 0.44474 9.90099
217 1A27 NAP 0.000001023 0.42382 10.0346
218 4R1S NAP 0.000000009436 0.67029 10.089
219 2C29 NAP 0.0000001466 0.54634 10.089
220 2C29 DQH 0.000000423 0.53062 10.089
221 1UY4 XYP XYP XYP XYP 0.01949 0.44628 10.3448
222 4YCA NDP 0.007259 0.41775 10.5442
223 4OSP NAP 0.000001388 0.56749 10.6464
224 4OSP 2V4 0.04231 0.42298 10.6464
225 2Q46 NAP 0.000001126 0.57128 10.6719
226 5L4S NAP 0.000003689 0.43221 10.6918
227 5L4S 6KX 0.000003689 0.43221 10.6918
228 1LSS NAD 0.004948 0.43939 10.7143
229 2WSB NAD 0.00000061 0.45977 11.0236
230 3O26 NDP 0.0000007055 0.42766 11.254
231 1XKQ NDP 0.000007151 0.52182 11.4286
232 4O0L NDP 0.000001892 0.55289 11.6364
233 1FWV SGA MAG FUC 0.02551 0.434 11.9403
234 2BGM NAJ 0.0000005038 0.42138 12.2302
235 3SJU NDP 0.0000002146 0.591 12.5448
236 1HDO NAP 0.00000007791 0.59381 12.6214
237 1O94 ADP 0.01705 0.40644 12.8788
238 2X6T NAP 0.00000004977 0.62198 12.8852
239 3TN7 NJP 0.000001875 0.42175 13.2296
240 2GN4 UD1 0.000000003644 0.43957 14.2442
241 2GN4 NDP 0.00000001986 0.42935 14.2442
242 1EK6 NAI 0.0000000006599 0.57533 14.3678
243 1EK6 UPG 0.00000002206 0.53491 14.3678
244 4ZA2 NAD 0.000001272 0.41701 14.6245
245 1EQ2 NAP 0.00000007998 0.61355 14.8387
246 1EQ2 ADQ 0.003096 0.44891 14.8387
247 1WVG APR 0.00000001101 0.67406 15.5989
248 1WVG CXY 0.000001099 0.6039 15.5989
249 1Q7B NAP 0.0000003221 0.58879 16.3934
250 2A92 NAI 0.001667 0.43161 16.5109
251 1ZK4 NAP 0.000001432 0.43935 17.1315
252 1X1T NAD 0.00001169 0.51347 17.6923
253 2Q1S NAI 0.0000005115 0.46994 18.0371
254 3WMX NAD 0.00000007434 0.63184 18.7151
255 1VL0 NAI 0.00000006548 0.43452 20.5479
256 3GXW SIN 0.03026 0.45694 21.3592
257 3A4V PYR 0.000000004834 0.62984 21.7666
258 3A4V NAD 0.000000004834 0.62984 21.7666
259 2YY7 NAD 0.0000001291 0.44393 22.7564
260 3RFV NAI 0.00000001101 0.661 24.7191
261 3RFV 15L 0.0000001535 0.61834 24.7191
262 2BKA NDP 0.000001622 0.40841 26.4463
263 1GY8 NAD 0.0000002763 0.58657 27.0341
264 1GY8 UDP 0.0006033 0.51523 27.0341
265 2C5A NAD 0.00000004561 0.53183 31.1346
266 2C5A GDC 0.00000004561 0.53183 31.1346
267 1KEW TYD 0.00000000001656 0.61271 32.687
268 1KEW NAD 0.00000000002993 0.60851 32.687
269 1Z45 NAD 0.0000001685 0.60031 33.8583
270 1Z45 UPG 0.00005212 0.54195 33.8583
271 1SB8 UD2 0.00000000005555 0.60437 34.0909
272 1SB8 NAD 0.0000000003549 0.56928 34.0909
273 3LU1 NAD 0.000000006828 0.65729 35.7143
274 3LU1 UD2 0.000002775 0.57988 35.7143
275 1ORR NAD 0.0000000183 0.47119 36.5994
276 1RKX NAD 0.000000002909 0.66629 36.9748
277 2Q1W NAD 0.0000009749 0.56003 37.2372
278 1R6D NAD 0.0000000000382 0.61153 37.9822
279 1R6D DAU 0.00000000003793 0.60871 37.9822
280 1UDB NAD 0.00000004709 0.53798 38.1657
281 4GLL NAD 0.00000001991 0.46511 38.5757
282 1BXK NAD 0.00000005644 0.44287 39.7183
283 2PZM UDP 0.0000001334 0.4859 40.6061
284 2PZM NAD 0.0000001334 0.4859 40.6061
285 1OC2 NAD 0.00000000002668 0.62195 42.8161
286 1OC2 TDX 0.00000000002668 0.62195 42.8161
287 3KO8 NAD 0.00000002825 0.62111 45.8333
288 4ZRN NAD 0.00000001025 0.6278 47.7564
289 4ZRN UPG 0.00000001741 0.55866 47.7564
Pocket No.: 5; Query (leader) PDB : 1N7G; Ligand: NDP; Similar sites found: 222
This union binding pocket(no: 5) in the query (biounit: 1n7g.bio1) has 67 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FR1 NDP 0.0000005985 0.58098 1.04987
2 3ABI NAD 0.001891 0.44311 1.09589
3 3EB9 FLC 0.02845 0.42866 1.50376
4 3HB5 NAP 0.000004715 0.49217 1.52905
5 2D2I NAP 0.02792 0.40406 1.57895
6 3WXB NDP 0.0000004066 0.59254 1.79211
7 1A5Z NAD 0.002327 0.45977 1.88088
8 2EXX NAP 0.0003791 0.46093 1.96078
9 1W8D NAP 0.0000007776 0.61142 1.98676
10 1W73 NAP 0.0000007793 0.61138 1.98676
11 2NU8 COA 0.01001 0.41947 2.09974
12 1LJ8 NAD 0.0292 0.40784 2.09974
13 1M2W NAD 0.02944 0.40529 2.09974
14 1DSS NAD 0.006641 0.42994 2.1021
15 1ZBQ NAD 0.00002447 0.51515 2.14067
16 2WMC MGP 0.03517 0.44725 2.24719
17 3ORF NAD 0.00002757 0.5242 2.39044
18 1VL8 NAP 0.0000003938 0.58384 2.62172
19 2P41 SAH 0.04941 0.40411 2.62295
20 4OOE NDP 0.006527 0.42769 2.62467
21 2NZ5 226 0.0125 0.42055 2.62467
22 5MQ6 NDP 0.02371 0.4097 2.62467
23 2WYV NAD 0.00002838 0.51983 2.68199
24 4K26 NDP 0.000001091 0.57477 2.89855
25 4K26 SFF 0.00002696 0.49085 2.89855
26 3RJ5 NAD 0.000004394 0.52346 3.14961
27 1BDB NAD 0.00003143 0.50724 3.2491
28 5DOZ NDP 0.01355 0.40101 3.25444
29 1HDG NAD 0.0121 0.41824 3.31325
30 2CVQ NDP 0.004528 0.42957 3.36391
31 1D7O NAD 0.0001005 0.47508 3.367
32 1I2B NAD 0.0000204 0.41108 3.41207
33 2ZAT NAP 0.00001276 0.53444 3.46154
34 2HMT NAI 0.003491 0.45148 3.47222
35 3V1Y NAD 0.007217 0.42576 3.56083
36 2F1K NAP 0.01131 0.41713 3.58423
37 4PLG NAI 0.004635 0.41161 3.59281
38 3A4T SFG 0.03519 0.40398 3.64964
39 1DRV A3D 0.01903 0.41669 3.67454
40 3D3W NAP 0.00001158 0.53226 3.68852
41 1XSE NDP 0.000004937 0.51497 3.72881
42 2DT5 NAD 0.01394 0.40864 3.79147
43 3B1F NAD 0.005465 0.44231 3.7931
44 4RDH AMP 0.01739 0.43325 3.81944
45 3QV1 NAD 0.02174 0.40453 3.85757
46 3ICC NAP 0.000006162 0.53961 3.92157
47 5H81 NAP 0.01921 0.4165 3.93701
48 1J5P NAD 0.006009 0.42675 3.95257
49 2CFC NAD 0.0000005873 0.59557 4
50 3GFB NAD 0.02057 0.40344 4
51 1LTH NAD 0.003736 0.44401 4.07523
52 4ITU NAI 0.000001593 0.5594 4.08922
53 4ITU 1HS 0.00001496 0.4915 4.08922
54 4HXY NDP 0.0000003754 0.40326 4.10959
55 1H5Q NAP 0.000002221 0.56197 4.15094
56 1WP4 NDP 0.009448 0.4182 4.15225
57 2CVZ NDP 0.01803 0.40815 4.15225
58 3JQA NAP 0.000005915 0.55715 4.16667
59 3JQB NAP 0.000008535 0.55025 4.16667
60 3JQG NAP 0.000009145 0.54895 4.16667
61 3JQF NAP 0.000006417 0.54699 4.16667
62 4CM8 NAP 0.000008284 0.54649 4.16667
63 3BMO NAP 0.000008549 0.54591 4.16667
64 5JCJ NAP 0.000008703 0.54558 4.16667
65 3BMQ NAP 0.000006968 0.54548 4.16667
66 4CMI NAP 0.000009722 0.54353 4.16667
67 4CM4 NAP 0.000009805 0.54337 4.16667
68 3JQ7 NAP 0.00001517 0.53942 4.16667
69 3JQ8 NAP 0.00001262 0.53463 4.16667
70 3BMN NAP 0.00001418 0.5325 4.16667
71 2DTX BMA 0.000002143 0.40716 4.16667
72 4KWI NAP 0.000007421 0.50848 4.18251
73 4KWI 1TJ 0.000009246 0.50194 4.18251
74 2BH9 NAP 0.00962 0.4466 4.19948
75 4U7W NDP 0.000000004553 0.42688 4.19948
76 1FK8 NAD 0.000002618 0.58229 4.28016
77 2DKN NAI 0.000001471 0.57854 4.31373
78 1GZ6 NAI 0.00002727 0.51683 4.38871
79 1O5I NAD 0.0003354 0.5077 4.41767
80 1MUU NAD 0.01145 0.41931 4.46194
81 3UZO GLU 0.02953 0.40073 4.46927
82 2BD0 NAP 0.000001945 0.56007 4.5082
83 1HYH NAD 0.01534 0.40272 4.53074
84 1UAY ADN 0.00007349 0.56168 4.54545
85 1TB4 PEJ 0.01156 0.40994 4.58221
86 1OAA OAA 0.00005278 0.46936 4.6332
87 5JE8 NAD 0.0155 0.41339 4.63576
88 4TQG NDP 0.00000004392 0.41416 4.64396
89 5FTW SAH 0.04498 0.4012 4.6875
90 1EZ4 NAD 0.00207 0.44969 4.71698
91 4MDH NAD 0.001974 0.44775 4.79042
92 5MDH NAD 0.001205 0.45705 4.8048
93 3DZD ADP 0.04843 0.40998 4.8913
94 3RKR NAP 0.00003657 0.59114 4.96183
95 1U7T NAD 0.0000004531 0.60552 4.98084
96 1E3W NAD 0.0000002855 0.60384 4.98084
97 1U7T TDT 0.000006766 0.50685 4.98084
98 3ICS ADP 0.0114 0.45017 4.98688
99 1E6W NAD 0.0000003178 0.60188 5
100 3LN9 FLC 0.007702 0.4899 5.03597
101 3VZS NAP 0.000009999 0.49204 5.05837
102 3VZS CAA 0.0002735 0.40901 5.05837
103 1I0Z NAI 0.001338 0.44944 5.1051
104 4NBU NAI 0.0000007874 0.58064 5.2
105 2EWM NAD 0.00001012 0.53467 5.22088
106 1E7S NAP 0.0000001746 0.41296 5.29595
107 1TE2 PGA 0.006449 0.47931 5.30973
108 3BAZ NAP 0.01113 0.41986 5.40541
109 4NBT NAD 0.000001067 0.58449 5.41667
110 9LDB NAD 0.002915 0.43272 5.42169
111 2B4Q NAP 0.000007579 0.54395 5.43478
112 4K28 NAD 0.03113 0.40188 5.57621
113 1YXM ADE 0.00008968 0.5735 5.61056
114 1BW9 NAD 0.03607 0.40346 5.61798
115 1JAY NAP 0.008053 0.43437 5.66038
116 3OA2 NAD 0.01495 0.40732 5.66038
117 1PZG A3D 0.004722 0.41131 5.74018
118 1V35 NAI 0.0002843 0.4481 5.77508
119 2HJR APR 0.0004509 0.48947 5.79268
120 2B4R NAD 0.009862 0.41071 5.7971
121 1GEG NAD 0.000003386 0.55866 5.85938
122 2I3G NAP 0.01647 0.40143 5.96591
123 1VKO NAD 0.0111 0.40652 6.03675
124 1U1I NAD 0.01181 0.40152 6.03675
125 2JAP NDP 0.000002152 0.56254 6.07287
126 2JAH NDP 0.000004047 0.55117 6.07287
127 3NUG NAD 0.0000002464 0.40597 6.07287
128 3H8V ATP 0.01009 0.43876 6.16438
129 3A28 NAD 0.000000811 0.58477 6.20155
130 4OHU 2TK 0.0004779 0.4148 6.22837
131 4OHU NAD 0.0004779 0.4148 6.22837
132 5THQ NDP 0.0000002465 0.40434 6.25
133 1IY8 NAD 0.000001147 0.57386 6.36704
134 1LDM NAD 0.003714 0.43076 6.38298
135 2RH4 EMO 0.00001266 0.48574 6.4982
136 5MSO NAP 0.000000001739 0.43067 6.56168
137 1KYQ NAD 0.01057 0.44103 6.56934
138 3H9E NAD 0.02303 0.40342 6.6474
139 3ZV6 NAD 0.00009044 0.4661 6.76157
140 3ZV6 4HB 0.000108 0.46082 6.76157
141 3VPH NAD 0.002541 0.43039 6.77419
142 3VPH OXM 0.003775 0.41912 6.77419
143 1V6A TRE 0.01957 0.45035 6.92771
144 1N5D NDP 0.000002435 0.56032 6.94444
145 4CQM NAP 0.0000006097 0.58998 6.96721
146 1PL6 NAD 0.02399 0.41448 7.02247
147 3BER AMP 0.04681 0.42013 7.22892
148 4R5M NAP 0.006268 0.42353 7.34908
149 4R5M 4NO 0.009858 0.41072 7.34908
150 1NVM NAD 0.008984 0.4124 7.37179
151 1CER NAD 0.005562 0.43076 7.55287
152 4FN4 NAD 0.00000322 0.55958 8.26772
153 4DPL NAP 0.003659 0.43104 8.6351
154 1E5Q NDP 0.001783 0.44688 8.66142
155 1GQ2 NAP 0.01897 0.40287 8.66142
156 3I9U DTU 0.0461 0.42101 8.74525
157 4XDY NAI 0.01899 0.40715 8.87574
158 3AY6 NAI 0.00001397 0.50775 8.92193
159 3AY6 BGC 0.0001797 0.43762 8.92193
160 1XG5 NAP 0.000008636 0.53753 8.92388
161 3I6I NDP 0.0005958 0.44324 9.18635
162 1GEE NAD 0.0000008538 0.58383 9.1954
163 4GKV NAD 0.00835 0.40753 9.52381
164 3OIG NAD 0.00002419 0.53064 9.71129
165 1O6Z NAD 0.003601 0.44474 9.90099
166 1LLU NAD 0.01037 0.40378 9.94152
167 4R1S NAP 0.00000000672 0.69136 10.089
168 2C29 NAP 0.000002283 0.51749 10.089
169 2C29 DQH 0.000006565 0.50131 10.089
170 2YVJ NAI 0.04793 0.40478 10.0917
171 4YCA NDP 0.01034 0.41886 10.5442
172 4OSP NAP 0.0000009262 0.58712 10.6464
173 2Q46 NAP 0.000001232 0.58182 10.6719
174 1LSS NAD 0.004135 0.45121 10.7143
175 1XKQ NDP 0.000008838 0.52943 11.4286
176 4O0L NDP 0.000001369 0.57069 11.6364
177 1FWV SGA MAG FUC 0.03327 0.434 11.9403
178 4II2 ATP 0.04615 0.40065 12.0482
179 3SJU NDP 0.0000003472 0.59538 12.5448
180 1HDO NAP 0.0000004289 0.57794 12.6214
181 1O94 ADP 0.0186 0.41217 12.8788
182 2X6T NAP 0.0000000725 0.62888 12.8852
183 3GXO SAH 0.03187 0.41954 13.2791
184 1EK6 NAI 0.00001686 0.41234 14.3678
185 1EK6 UPG 0.0000389 0.40634 14.3678
186 1EQ2 NAP 0.000000282 0.60406 14.8387
187 1SQF SAM 0.03229 0.41347 14.9606
188 1WVG APR 0.00000003414 0.66659 15.5989
189 1Q7B NAP 0.0000002854 0.60385 16.3934
190 2A92 NAI 0.002506 0.433 16.5109
191 1X1T NAD 0.000008984 0.52914 17.6923
192 3WMX NAD 0.00000006211 0.64884 18.7151
193 3B1J NAD 0.01112 0.41066 20
194 3A4V NAD 0.00000002243 0.619 21.7666
195 3A4V PYR 0.00000002243 0.619 21.7666
196 2YY7 NAD 0.0000001211 0.41079 22.7564
197 3RFV NAI 0.00000003858 0.6519 24.7191
198 3RFV 15L 0.000001763 0.58486 24.7191
199 1GY8 NAD 0.0000003473 0.59537 27.0341
200 2C5A NAD 0.00002801 0.45729 31.1346
201 2C5A GDC 0.00002801 0.45729 31.1346
202 1KEW TYD 0.000004393 0.42034 32.687
203 1KEW NAD 0.000007115 0.41712 32.687
204 1Z45 NAD 0.0000001823 0.61203 33.8583
205 1SB8 UD2 0.000001384 0.43622 34.0909
206 1SB8 NAD 0.000001844 0.42444 34.0909
207 3LU1 NAD 0.00000000628 0.67356 35.7143
208 1ORR NAD 0.00000001267 0.4365 36.5994
209 1RKX NAD 0.0000000107 0.658 36.9748
210 2Q1W NAD 0.0000005168 0.58358 37.2372
211 1R6D NAD 0.000004238 0.42683 37.9822
212 1R6D DAU 0.000008856 0.4168 37.9822
213 1UDB NAD 0.000008202 0.47909 38.1657
214 4GLL NAD 0.00000001591 0.4303 38.5757
215 1BXK NAD 0.00000001889 0.41785 39.7183
216 2PZM UDP 0.00000313 0.41157 40.6061
217 2PZM NAD 0.00000313 0.41157 40.6061
218 1OC2 NAD 0.000006939 0.47172 42.8161
219 1OC2 TDX 0.000006939 0.47172 42.8161
220 3KO8 NAD 0.00000002396 0.63807 45.8333
221 4ZRN NAD 0.00000002274 0.6286 47.7564
222 4ZRN UPG 0.000006864 0.48676 47.7564
Pocket No.: 6; Query (leader) PDB : 1N7G; Ligand: GDR; 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: 1n7g.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1N7G; Ligand: GDR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1n7g.bio1) has 55 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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