Receptor
PDB id Resolution Class Description Source Keywords
1IH7 2.21 Å EC: 2.7.7.7 HIGH-RESOLUTION STRUCTURE OF APO RB69 DNA POLYMERASE ENTEROBACTERIA PHAGE RB69 DNA POLYMERASE FINGERS PALM THUMB TRANSFERASE
Ref.: STRUCTURE OF THE REPLICATING COMPLEX OF A POL ALPHA FAMILY DNA POLYMERASE CELL(CAMBRIDGE,MASS.) V. 105 657 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GMP A:1000;
Valid;
none;
submit data
283.241 C10 H13 N5 O5 c1nc2...
K A:2001;
A:2002;
Invalid;
Invalid;
none;
none;
submit data
39.098 K [K+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1IH7 2.21 Å EC: 2.7.7.7 HIGH-RESOLUTION STRUCTURE OF APO RB69 DNA POLYMERASE ENTEROBACTERIA PHAGE RB69 DNA POLYMERASE FINGERS PALM THUMB TRANSFERASE
Ref.: STRUCTURE OF THE REPLICATING COMPLEX OF A POL ALPHA FAMILY DNA POLYMERASE CELL(CAMBRIDGE,MASS.) V. 105 657 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1IH7 - GMP C10 H13 N5 O5 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1IH7 - GMP C10 H13 N5 O5 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1IH7 - GMP C10 H13 N5 O5 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GMP; Similar ligands found: 114
No: Ligand ECFP6 Tc MDL keys Tc
1 GMP 1 1
2 5GP 0.732394 0.866667
3 G 0.732394 0.866667
4 3GP 0.704225 0.853333
5 GDP 0.684211 0.88
6 GNH 0.675325 0.868421
7 GP3 0.671053 0.857143
8 GP2 0.662338 0.846154
9 GTP 0.658228 0.88
10 2GP 0.657534 0.866667
11 GDP MG 0.64557 0.833333
12 G2P 0.641975 0.846154
13 GSP 0.641975 0.835443
14 GDP BEF 0.6375 0.8125
15 ALF 5GP 0.6375 0.802469
16 GMV 0.6375 0.857143
17 GPG 0.635294 0.87013
18 GCP 0.62963 0.857143
19 G1R 0.62963 0.868421
20 GAV 0.626506 0.846154
21 GKE 0.625 0.87013
22 GDD 0.625 0.87013
23 GDC 0.625 0.87013
24 GNP 0.621951 0.857143
25 BEF GDP 0.614458 0.802469
26 GTP MG 0.614458 0.833333
27 GCP G 0.607143 0.844156
28 GDP ALF 0.593023 0.802469
29 GDP AF3 0.593023 0.802469
30 G G 0.590909 0.844156
31 G4P 0.588235 0.866667
32 G2R 0.586207 0.846154
33 G3D 0.583333 0.866667
34 P2G 0.576923 0.815789
35 SGP 0.576923 0.78481
36 GFB 0.565217 0.846154
37 GDR 0.565217 0.846154
38 GKD 0.56383 0.87013
39 P1G 0.5625 0.805195
40 0O2 0.561798 0.866667
41 YGP 0.56044 0.792683
42 6CK 0.55914 0.825
43 G3A 0.55914 0.857143
44 Y9Z 0.554348 0.817073
45 G5P 0.553191 0.857143
46 NOS 0.549296 0.940298
47 GTG 0.548387 0.825
48 JB2 0.547368 0.846154
49 GPD 0.541667 0.814815
50 GDX 0.541667 0.857143
51 U2G 0.54 0.848101
52 GDP 7MG 0.536842 0.822785
53 C2E 0.53012 0.828947
54 PCG 0.53012 0.84
55 35G 0.53012 0.84
56 CG2 0.529412 0.848101
57 5GP 5GP 0.52381 0.815789
58 MG7 0.520548 0.957143
59 JB3 0.514852 0.835443
60 G A A A 0.504762 0.857143
61 U A G G 0.5 0.844156
62 FEG 0.495146 0.77381
63 NGD 0.495146 0.846154
64 G U34 0.490385 0.825
65 ZGP 0.490385 0.764706
66 GH3 0.488889 0.855263
67 DGP 0.487805 0.797468
68 DG 0.487805 0.797468
69 G G U 0.484848 0.820513
70 2MD 0.481132 0.785714
71 G C 0.481132 0.835443
72 BGO 0.480769 0.8125
73 GPX 0.478261 0.828947
74 XTS 0.472973 0.913043
75 DGI 0.471264 0.810127
76 CAG 0.46789 0.776471
77 MGD 0.46789 0.785714
78 I2C FE2 CMO CMO 0.463636 0.730337
79 TPG 0.45614 0.741573
80 FE9 0.455357 0.684211
81 4BW 0.454545 0.828947
82 1YD 0.454545 0.828947
83 GGM 0.453704 0.792683
84 G G G RPC 0.453704 0.7875
85 SNI 0.453333 0.898551
86 PGD 0.451327 0.814815
87 MD1 0.451327 0.785714
88 DGT 0.450549 0.810127
89 APC G U 0.45045 0.797468
90 DBG 0.443478 0.835443
91 G1R G1R 0.443478 0.835443
92 13A 0.441558 0.768293
93 GPC 0.441441 0.795181
94 PGD O 0.439655 0.75
95 DG DG 0.43299 0.802469
96 G4M 0.430894 0.797619
97 G G G C 0.429825 0.802469
98 A G C C 0.426087 0.822785
99 U G A 0.424 0.825
100 1YC 0.421569 0.802632
101 AD3 0.421053 0.882353
102 4UR 0.416667 0.828947
103 G C C C 0.411765 0.8125
104 ADN 0.410959 0.882353
105 RAB 0.410959 0.882353
106 XYA 0.410959 0.882353
107 G1G 0.408696 0.814815
108 1DA 0.407895 0.882353
109 AC2 0.407895 0.797297
110 IMP 0.406977 0.84
111 A G U 0.404762 0.825
112 3ZE 0.404494 0.772152
113 MZR 0.402778 0.838235
114 CFE 0.4 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1IH7; Ligand: GMP; Similar sites found: 19
This union binding pocket(no: 1) in the query (biounit: 1ih7.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XNG DND 0.001549 0.46898 1.86567
2 2VJ8 HA2 0.04548 0.40613 1.96399
3 5GVL PLG 0.04689 0.40541 2.0362
4 5GVL GI8 0.04689 0.40541 2.0362
5 1GQ2 NAP 0.03118 0.40455 2.16216
6 3NYQ MCA 0.02729 0.41107 2.17822
7 3NYQ AMP 0.02862 0.41107 2.17822
8 2I0K FAD 0.04784 0.40122 2.85205
9 5UIJ TYD 0.02475 0.42041 3.20988
10 3NRR UMP 0.02268 0.41051 3.68932
11 3ZL8 ADP 0.01704 0.40647 4.11899
12 1O0S NAI 0.01143 0.42013 6.1157
13 4QYS PLR 0.009872 0.40822 6.33484
14 4QYS PLP SEP 0.02963 0.40049 6.33484
15 5XDT MB3 0.03246 0.40817 8.44156
16 1KY8 NAP 0.02699 0.42018 9.38124
17 1GPE FAD 0.04611 0.41074 10.3918
18 1VLJ NAP 0.02471 0.41656 10.5651
19 1KQP ADJ 0.01783 0.4325 18.0812
Feedback