Receptor
PDB id Resolution Class Description Source Keywords
2C6Q 1.7 Å EC: 1.7.1.7 CRYSTAL STRUCTURE OF HUMAN GUANOSINE MONOPHOSPHATE REDUCTASE 2 GMPR2 IN COMPLEX WITH IMP AND NADPH HOMO SAPIENS TIM BARREL METAL-BINDING NADP OXIDOREDUCTASE POTASSIUM
Ref.: COFACTOR MOBILITY DETERMINES REACTION OUTCOME IN TH AND GMPR (BETA-ALPHA)(8) BARREL ENZYMES. NAT.CHEM.BIOL. V. 7 950 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMP A:1337;
B:1339;
C:1337;
D:1337;
E:1337;
F:1337;
G:1338;
H:1337;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
348.206 C10 H13 N4 O8 P c1nc2...
NDP A:1338;
B:1340;
C:1338;
D:1338;
E:1338;
F:1338;
H:1338;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
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
2C6Q 1.7 Å EC: 1.7.1.7 CRYSTAL STRUCTURE OF HUMAN GUANOSINE MONOPHOSPHATE REDUCTASE 2 GMPR2 IN COMPLEX WITH IMP AND NADPH HOMO SAPIENS TIM BARREL METAL-BINDING NADP OXIDOREDUCTASE POTASSIUM
Ref.: COFACTOR MOBILITY DETERMINES REACTION OUTCOME IN TH AND GMPR (BETA-ALPHA)(8) BARREL ENZYMES. NAT.CHEM.BIOL. V. 7 950 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2BZN - IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 2C6Q - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BWG - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
2 2BLE - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
3 2BZN - IMP C10 H13 N4 O8 P c1nc2c(n1[....
4 2C6Q - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4Z87 Ki = 210 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 1PVN Ki = 0.15 nM MZP C9 H12 N3 O9 P c1[nH+]c(c....
3 5J5R Ki = 0.1 uM 6G1 C20 H25 N3 O3 S c1cc2cnccc....
4 2BLE - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
5 1MEW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1ME7 Ki = 65 nM RVP C8 H13 N4 O8 P c1nc(nn1[C....
7 1MEH - MOA C17 H20 O6 Cc1c2c(c(c....
8 2C6Q - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 4ZQN Ki = 17 nM 4QO C22 H26 Cl N3 O2 CC(=C)c1cc....
10 4ZQO Ki = 14 nM Q67 C21 H16 Cl2 N4 O2 C[C@@H](C(....
11 4ZQM - XMP C10 H14 N4 O9 P c1[nH+]c2c....
12 4IXH ic50 = 6.1 nM Q21 C25 H19 N3 O3 C[C@@H](C(....
13 4Z0G Ki = 600 uM 5GP C10 H14 N5 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IMP; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 IMP 1 1
2 IDP 0.824324 0.986111
3 NOS 0.724638 0.835616
4 5GP 0.609756 0.972603
5 G 0.609756 0.972603
6 DI 0.578313 0.92
7 SIB 0.549451 0.772152
8 93A 0.523256 0.841463
9 GDP 0.505495 0.959459
10 GP3 0.494505 0.934211
11 C2R 0.493827 0.891892
12 GTP 0.489362 0.959459
13 GP2 0.48913 0.922078
14 GNH 0.483871 0.946667
15 G2P 0.479167 0.922078
16 AMZ 0.47561 0.90411
17 SNI 0.475 0.8
18 GMV 0.473684 0.934211
19 GAV 0.469388 0.922078
20 G1R 0.46875 0.946667
21 GCP 0.46875 0.934211
22 AIR 0.468354 0.888889
23 NIA 0.464286 0.835443
24 GNP 0.463918 0.934211
25 GSP 0.463918 0.910256
26 GDP MG 0.463158 0.909091
27 A 0.458824 0.90411
28 1RB 0.458824 0.847222
29 AMP 0.458824 0.90411
30 ALF 5GP 0.458333 0.875
31 GDP BEF 0.458333 0.886076
32 6SW 0.456522 0.930556
33 RBZ 0.453488 0.837838
34 GPG 0.45098 0.922078
35 7RP 0.448276 0.888889
36 GDC 0.447619 0.922078
37 GDD 0.447619 0.922078
38 GKE 0.447619 0.922078
39 GTP MG 0.444444 0.909091
40 BEF GDP 0.444444 0.875
41 7RA 0.443182 0.891892
42 IMO 0.443182 0.890411
43 JLN 0.443182 0.90411
44 AAM 0.443182 0.90411
45 P2P 0.443182 0.864865
46 RMB 0.443182 0.835616
47 FAI 0.443182 0.90411
48 G2R 0.441176 0.922078
49 GCP G 0.44 0.921053
50 G7M 0.43956 0.934211
51 XMP 0.438202 0.932432
52 IRN 0.435897 0.830986
53 Y9Z 0.433962 0.865854
54 PMO 0.433333 0.813333
55 71V 0.433333 0.825
56 GDP AF3 0.431373 0.875
57 GDP ALF 0.431373 0.875
58 GKD 0.431193 0.922078
59 JB2 0.431193 0.922078
60 GFB 0.429907 0.922078
61 GDR 0.429907 0.922078
62 6CK 0.425926 0.898734
63 G3A 0.425926 0.934211
64 YGP 0.424528 0.8875
65 G5P 0.422018 0.934211
66 PGS 0.419355 0.825
67 G G 0.419048 0.921053
68 RVP 0.416667 0.837838
69 GTG 0.416667 0.898734
70 GDX 0.414414 0.934211
71 GUO 0.41 0.931507
72 GMP 0.406977 0.84
73 U2G 0.405172 0.898734
74 2SA 0.40404 0.894737
75 6C6 0.402062 0.846154
76 GPD 0.401786 0.8875
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 : 2C6Q; Ligand: NDP; Similar sites found: 70
This union binding pocket(no: 1) in the query (biounit: 2c6q.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GLC R5P 0.00572 0.44832 1.35593
2 2WLT ASP 0.03113 0.41767 1.50602
3 5DNC ASN 0.02185 0.42602 1.7094
4 3OBT SLB 0.0235 0.41953 1.7094
5 4K79 GAL A2G 0.02384 0.42396 2.27273
6 2VD9 IN5 0.03204 0.40334 2.2792
7 3B0P FMN 0.0009135 0.47934 2.28571
8 1D8C GLV 0.00779 0.42224 2.5641
9 2HSA FMN 0.004132 0.4129 2.5641
10 1P7T PYR 0.03585 0.4122 2.5641
11 3EXS 5RP 0.01427 0.43184 2.71493
12 4GYI ADP 0.03957 0.40499 2.849
13 2V68 CAP 0.005045 0.43218 2.85714
14 2V67 CAP 0.005143 0.42854 2.85714
15 1IR2 CAP 0.005863 0.42596 2.85714
16 4KBA 1QM 0.0409 0.40106 3.02115
17 4XFR CIT 0.03591 0.41914 3.1339
18 4ZM4 PLP 0.04479 0.40551 3.1339
19 4UAP NGA 0.0243 0.41331 3.28947
20 1TV5 FMN 0.005153 0.4141 3.7037
21 4PPF FLC 0.0426 0.42692 3.71429
22 3CV2 OXL 0.02253 0.41658 3.9886
23 5OCS FMN 0.02258 0.4048 3.9886
24 1UJP CIT 0.02154 0.40876 4.05904
25 1G2O IMH 0.03593 0.40086 4.2735
26 5MZN ADP 0.02919 0.42323 4.5584
27 3B9Q MLI 0.018 0.43349 4.63576
28 4TMC FMN 0.01445 0.40538 4.71464
29 1LBF 137 0.005693 0.4123 4.8583
30 3F81 STT 0.04287 0.41002 4.91803
31 1DBT U5P 0.02553 0.40226 5.02092
32 2Z6I FMN 0.0008014 0.46136 5.12821
33 4I9A NCN 0.004755 0.44042 5.12821
34 2A19 ANP 0.03712 0.40986 5.14286
35 5EYW PGA 0.0006783 0.50701 5.22088
36 5E58 CPZ 0.0132 0.44837 5.41311
37 2ZRU FMN 0.002431 0.40549 5.41311
38 4WZH FMN 0.001631 0.43787 5.76369
39 2GJN FMN 0.00122 0.44318 5.79268
40 2GJN NIS 0.001651 0.43172 5.79268
41 2BES RES 0.04833 0.40045 5.81395
42 5CSS G3P 0.006486 0.45444 5.98291
43 4RDH AMP 0.02081 0.41264 6.25
44 5TCI MLI 0.007947 0.45085 6.26781
45 1RZM E4P 0.04417 0.4166 6.26781
46 3G2O SAM 0.01621 0.41164 6.35452
47 3BF1 PAU 0.02387 0.41639 6.4257
48 4P5E N6P 0.01496 0.40745 6.57895
49 1AL8 FMN 0.01111 0.40776 7.40741
50 4UTU LRY 0.007049 0.43963 7.42358
51 4UTW RFW 0.007316 0.43502 7.42358
52 4YMU ATP 0.04831 0.40724 7.5
53 3N9R TD3 0.04285 0.40653 7.81759
54 1Z44 FMN 0.0146 0.42372 7.98817
55 4Z2S NDG 0.03117 0.41946 8.4507
56 4Z2S NAG 0.03117 0.41946 8.4507
57 5KXE 6Y2 0.0454 0.41434 9.46502
58 2FJK 13P 0.01368 0.4328 9.83607
59 5A5W GUO 0.0009219 0.40113 9.88142
60 2F6U CIT 0.003475 0.47427 10.2564
61 1OX5 1PR 0.001725 0.43095 10.2564
62 3BW2 FMN 0.001456 0.42836 11.1111
63 1RTW MP5 0.02763 0.42456 11.3636
64 4EWN 0VR 0.0004232 0.49571 11.4625
65 4YMZ 13P 0.001206 0.49363 13.1474
66 2YPI PGA 0.001387 0.48494 15.7895
67 4NAE 1GP 0.001639 0.49083 20
68 4AF0 IMP 0.00000000000008504 0.59631 34.4729
69 1ME8 RVP 0.00000000006712 0.61555 35.3276
70 1ZFJ IMP 0.0000000000001115 0.56969 36.7521
Pocket No.: 2; Query (leader) PDB : 2C6Q; 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: 2c6q.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2C6Q; 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: 2c6q.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2C6Q; Ligand: IMP; Similar sites found: 96
This union binding pocket(no: 4) in the query (biounit: 2c6q.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QDS PGA 0.0002174 0.40348 1.19522
2 3GLC R5P 0.002566 0.44471 1.35593
3 2Q3O FMN 0.003623 0.4051 2.2792
4 3B0P FMN 0.0004279 0.47178 2.28571
5 1D8C GLV 0.005687 0.42584 2.5641
6 1P7T PYR 0.009672 0.42244 2.5641
7 3EXS 5RP 0.00608 0.43096 2.71493
8 3LRE ADP 0.02959 0.40701 2.849
9 2V68 CAP 0.00169 0.43217 2.85714
10 2V67 CAP 0.001926 0.42609 2.85714
11 1IR2 CAP 0.002251 0.42322 2.85714
12 2VDH CAP 0.001838 0.40557 2.85714
13 2V63 CAP 0.001974 0.40465 2.85714
14 2V6A CAP 0.001883 0.40187 2.85714
15 2Y88 2ER 0.0002003 0.47138 2.86885
16 4KBA 1QM 0.02693 0.40262 3.02115
17 1JCM 137 0.0004795 0.41117 3.0888
18 4Q4K FMN 0.0001758 0.45957 3.1339
19 4ZM4 PLP 0.01825 0.40725 3.1339
20 4IGH 1EA 0.01207 0.41777 3.4188
21 4IGH ORO 0.01207 0.41777 3.4188
22 4IGH FMN 0.01207 0.41777 3.4188
23 1RBL CAP 0.002031 0.40774 3.4188
24 1TV5 FMN 0.002358 0.40336 3.7037
25 4PPF FLC 0.02488 0.42296 3.71429
26 5U83 ZN8 0.02915 0.4049 3.77358
27 1JQN DCO 0.01085 0.41443 3.9886
28 2O1O RIS 0.03073 0.40558 3.9886
29 1ICP FMN 0.005159 0.40479 3.9886
30 1UJP CIT 0.00927 0.40664 4.05904
31 1M5W DXP 0.009127 0.40072 4.11523
32 4ORM ORO 0.009786 0.42126 4.2394
33 4ORM 2V6 0.009786 0.42126 4.2394
34 4ORM FMN 0.009786 0.42126 4.2394
35 3CV6 HXS 0.01254 0.40009 4.33437
36 3CV6 NAP 0.01189 0.40009 4.33437
37 1UZD CAP 0.002326 0.40209 4.47761
38 3CH6 NAP 0.0166 0.41025 4.54545
39 3CH6 311 0.0166 0.41025 4.54545
40 5MZN ADP 0.01384 0.4219 4.5584
41 3B9Q MLI 0.007789 0.43537 4.63576
42 1QD0 RR6 0.01994 0.40158 4.6875
43 5N9X THR 0.01499 0.42009 4.8433
44 2J5V PCA 0.03316 0.41228 4.8433
45 1LBF 137 0.002017 0.405 4.8583
46 1JJ7 ADP 0.04828 0.40155 5
47 1GOJ ADP 0.04084 0.40275 5.07042
48 2Z6J FMN 0.0001489 0.46771 5.12048
49 2Z6I FMN 0.0002817 0.45733 5.12821
50 4I9A NCN 0.001994 0.4368 5.12821
51 5TE1 7A2 0.01359 0.41782 5.12821
52 5EYW PGA 0.0002733 0.5039 5.22088
53 5HJQ I3P 0.008969 0.4319 5.41311
54 5E58 CPZ 0.03894 0.40345 5.41311
55 3OIX FMN 0.00323 0.40374 5.50725
56 4BWL MN9 0.01357 0.4238 5.69801
57 4WZH FMN 0.0009144 0.42369 5.76369
58 3MJY IJZ 0.001912 0.42655 5.78035
59 3MJY FMN 0.001912 0.42655 5.78035
60 2GJN FMN 0.0006547 0.42889 5.79268
61 2GJN NIS 0.0007592 0.41621 5.79268
62 2CBZ ATP 0.01893 0.41077 5.90717
63 5CSS G3P 0.003163 0.45 5.98291
64 2B4G FMN 0.002653 0.41367 5.99369
65 5C2N NAG 0.01252 0.42562 6.25
66 5TCI MLI 0.002676 0.45798 6.26781
67 3KDN CAP 0.01538 0.40245 6.55271
68 4JEJ 1GP 0.0001674 0.41598 6.55738
69 4QNW FMN 0.001733 0.40574 7.12251
70 3C3N FMN 0.009172 0.40174 7.37179
71 4UTU LRY 0.002989 0.43706 7.42358
72 4UTW RFW 0.002662 0.43518 7.42358
73 1OFD FMN 0.001852 0.43091 7.97721
74 1OFD AKG 0.008137 0.40166 7.97721
75 1Z44 FMN 0.01306 0.40678 7.98817
76 2OFD NGA 0.01515 0.42051 8.4507
77 4Z2S NAG 0.0195 0.41371 8.4507
78 4Z2S NDG 0.0195 0.41371 8.4507
79 5KXE 6Y2 0.02901 0.40692 9.46502
80 2FJK 13P 0.007457 0.42657 9.83607
81 1UZH CAP 0.002597 0.40043 9.83607
82 5A5W GUO 0.0002359 0.47353 9.88142
83 2F6U CIT 0.001452 0.47294 10.2564
84 5HBN RPI 0.01388 0.41736 10.2564
85 3BW2 FMN 0.0004828 0.41395 11.1111
86 4EWN 0VR 0.0001799 0.48913 11.4625
87 5IFK HPA 0.02908 0.4068 12.8205
88 4YMZ 13P 0.0004379 0.49353 13.1474
89 1WDD CAP 0.001825 0.40229 13.2812
90 2YPI PGA 0.0004865 0.48521 15.7895
91 5E5U MLI 0.005501 0.42749 17.0854
92 2FLI DX5 0.001253 0.41075 17.7273
93 4NAE 1GP 0.000391 0.50399 20
94 4AF0 IMP 0.000000000000004996 0.85097 34.4729
95 1ME8 RVP 0.00000000002577 0.76244 35.3276
96 1ZFJ IMP 0.000000000000008216 0.81065 36.7521
Pocket No.: 5; Query (leader) PDB : 2C6Q; Ligand: IMP; 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: 2c6q.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2C6Q; Ligand: IMP; 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: 2c6q.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2C6Q; Ligand: NDP; 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: 2c6q.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2C6Q; Ligand: IMP; 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: 2c6q.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2C6Q; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2c6q.bio2) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2C6Q; Ligand: IMP; Similar sites found: 11
This union binding pocket(no: 10) in the query (biounit: 2c6q.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AOA PPI 0.02606 0.4076 1.9943
2 4WXJ GLU 0.02941 0.40469 2.60223
3 1NML CIT 0.02417 0.40919 3.06748
4 1R6N 434 0.03147 0.40285 3.79147
5 4AG5 ADP 0.02437 0.41012 4.2735
6 4L80 OXL 0.01214 0.41469 4.31034
7 3WLV AZA 0.0226 0.41072 4.48718
8 4D79 ATP 0.01036 0.40116 4.71014
9 4RDH AMP 0.00756 0.41424 6.25
10 3QVP FAD 0.007272 0.414 6.26781
11 1OX5 1PR 0.001896 0.40089 10.2564
Pocket No.: 11; Query (leader) PDB : 2C6Q; Ligand: IMP; 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: 2c6q.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2C6Q; Ligand: NDP; Similar sites found: 22
This union binding pocket(no: 12) in the query (biounit: 2c6q.bio2) has 44 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.03434 0.42008 None
2 3OTH TYD 0.02603 0.40867 2.5641
3 5TWO 7MV 0.01679 0.40884 2.94118
4 2P8B NSK 0.01944 0.40048 3.1339
5 2FGQ MLT 0.01938 0.4039 3.31325
6 3N29 GOL 0.04221 0.40257 3.4188
7 5U83 ZN8 0.01616 0.43836 3.77358
8 1JQN DCO 0.02064 0.42052 3.9886
9 4L80 OXL 0.02037 0.42198 4.31034
10 1QD0 RR6 0.04485 0.40296 4.6875
11 4D79 ATP 0.02632 0.40247 4.71014
12 2J5V PCA 0.04817 0.41199 4.8433
13 1JJ7 ADP 0.04517 0.41532 5
14 4BWL MN9 0.02004 0.43417 5.69801
15 4QYS PLR 0.03074 0.41153 5.69801
16 2OFD NGA 0.03027 0.42085 8.4507
17 2XG5 EC5 0.04622 0.40079 9.63303
18 2XG5 EC2 0.04622 0.40079 9.63303
19 3NZ1 3NY 0.03255 0.41999 10.3448
20 5T46 MGP 0.03135 0.42306 10.6061
21 3BFX A3P 0.02154 0.40663 15.2027
22 5E5U MLI 0.00829 0.43694 17.0854
Pocket No.: 13; Query (leader) PDB : 2C6Q; Ligand: IMP; 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: 2c6q.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 2C6Q; Ligand: IMP; 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: 2c6q.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 2C6Q; Ligand: NDP; 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: 2c6q.bio2) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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