Receptor
PDB id Resolution Class Description Source Keywords
1MWH 2.5 Å NON-ENZYME: TOXIN_VIRAL REOVIRUS POLYMERASE LAMBDA3 BOUND TO MRNA CAP ANALOG REOVIRUS SP. POLYMERASE POLYMERASE-CAP ANALOG COMPLEX RIGHT HAND CONFIGURATION VIRAL PROTEIN
Ref.: RNA SYNTHESIS IN A CAGE-STRUCTURAL STUDIES OF REOVIRUS POLYMERASE LAMBDA3 CELL(CAMBRIDGE,MASS.) V. 111 733 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTG A:1425;
Valid;
none;
submit data
803.44 C21 H30 N10 O18 P3 C[n+]...
MN A:1500;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MWH 2.5 Å NON-ENZYME: TOXIN_VIRAL REOVIRUS POLYMERASE LAMBDA3 BOUND TO MRNA CAP ANALOG REOVIRUS SP. POLYMERASE POLYMERASE-CAP ANALOG COMPLEX RIGHT HAND CONFIGURATION VIRAL PROTEIN
Ref.: RNA SYNTHESIS IN A CAGE-STRUCTURAL STUDIES OF REOVIRUS POLYMERASE LAMBDA3 CELL(CAMBRIDGE,MASS.) V. 111 733 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 1MWH - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 1MWH - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 1MWH - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTG; Similar ligands found: 107
No: Ligand ECFP6 Tc MDL keys Tc
1 GTG 1 1
2 GP3 0.806818 0.962025
3 GDP 7MG 0.79798 0.974684
4 GTP 0.752688 0.936709
5 6G0 0.752688 0.974684
6 MGP 0.741935 0.974684
7 GSP 0.736842 0.891566
8 GDP 0.72043 0.936709
9 GNH 0.712766 0.925
10 G1R 0.708333 0.925
11 GCP 0.690722 0.91358
12 GTA 0.688679 1
13 9GM 0.683673 0.91358
14 GNP 0.683673 0.91358
15 G3A 0.669811 0.962025
16 G2R 0.666667 0.902439
17 5GP 0.666667 0.924051
18 G 0.666667 0.924051
19 G5P 0.663551 0.962025
20 GMV 0.663265 0.91358
21 G7M 0.655914 0.962025
22 Y9Z 0.650943 0.872093
23 GDR 0.64486 0.95
24 GFB 0.64486 0.95
25 GAV 0.637255 0.902439
26 GKE 0.635514 0.925926
27 GDD 0.635514 0.925926
28 GDC 0.635514 0.925926
29 GP2 0.632653 0.902439
30 JB2 0.627273 0.95
31 GKD 0.627273 0.925926
32 6CK 0.623853 0.903614
33 GPD 0.621622 0.915663
34 G2P 0.617647 0.902439
35 NGD 0.617391 0.974684
36 GPG 0.613208 0.95
37 YGP 0.611111 0.892857
38 GDX 0.607143 0.9375
39 CAG 0.6 0.917647
40 ALF 5GP 0.598039 0.858824
41 JB3 0.594828 0.938272
42 ALF GDP 0.579439 0.858824
43 GDP ALF 0.579439 0.858824
44 GDP AF3 0.579439 0.858824
45 TPG 0.571429 0.855556
46 0O2 0.568807 0.924051
47 2MD 0.561983 0.862069
48 FEG 0.55 0.894118
49 MGD 0.548387 0.862069
50 GMP 0.548387 0.825
51 ZGP 0.545455 0.883721
52 G G 0.54386 0.962025
53 MD1 0.543307 0.862069
54 G3D 0.542056 0.924051
55 CG2 0.540984 0.903614
56 MG7 0.537634 0.8625
57 U2G 0.53719 0.903614
58 G4P 0.53211 0.924051
59 PGD 0.53125 0.892857
60 G1G 0.527559 0.9875
61 AKW 0.52459 0.951219
62 DBG 0.523077 0.938272
63 GH3 0.522936 0.9125
64 FE9 0.511628 0.791667
65 DGT 0.504587 0.86747
66 3GP 0.5 0.8875
67 G4M 0.496403 0.895349
68 GPX 0.486726 0.8875
69 GCP G 0.482759 0.8875
70 BGO 0.47619 0.9625
71 A G 0.472868 0.949367
72 AJQ 0.472441 0.951219
73 2GP 0.471154 0.9
74 U A G G 0.469231 0.949367
75 MGO 0.468468 0.879518
76 DGI 0.46789 0.86747
77 G1R G1R 0.466667 0.938272
78 GGM 0.465116 0.939024
79 IDP 0.462963 0.911392
80 G A A A 0.461538 0.9375
81 R7I 0.459459 0.8875
82 R5I 0.459459 0.8875
83 PGD O 0.452555 0.844444
84 MGQ 0.439655 0.95
85 P2G 0.435185 0.829268
86 BA3 0.433962 0.886076
87 GPC 0.432836 0.850575
88 AP5 0.429907 0.886076
89 B4P 0.429907 0.886076
90 MGV 0.428571 0.904762
91 G U 0.427481 0.891566
92 P1G 0.427273 0.819277
93 DGP 0.425926 0.855422
94 DG 0.425926 0.855422
95 G C 0.421053 0.891566
96 G2Q 0.420168 0.902439
97 IMP 0.416667 0.898734
98 01G 0.414634 0.872093
99 AQP 0.414414 0.886076
100 5FA 0.414414 0.886076
101 A4P 0.412214 0.862069
102 HFD 0.40708 0.843373
103 HEJ 0.405405 0.886076
104 ATP 0.405405 0.886076
105 G G G C 0.402878 0.926829
106 A2D 0.401869 0.886076
107 G G G RPC 0.4 0.890244
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MWH; Ligand: GTG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1mwh.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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