Receptor
PDB id Resolution Class Description Source Keywords
3WVC 2 Å NON-ENZYME: OTHER GUANYLYLPYRIDINOL (GP)-BOUND HCGF FROM METHANOCALDOCOCCUS JA METHANOCALDOCOCCUS JANNASCHII THIOESTERASE HYDROLASE
Ref.: PROTEIN-PYRIDINOL THIOESTER PRECURSOR FOR BIOSYNTHE THE ORGANOMETALLIC ACYL-IRON LIGAND IN [FE]-HYDROGE COFACTOR NAT COMMUN V. 6 6895 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:202;
A:201;
B:203;
B:204;
B:205;
A:202;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
FEG B:201;
Valid;
none;
submit data
542.393 C19 H23 N6 O11 P Cc1c(...
ZGP A:203;
Invalid;
none;
submit data
558.459 C19 H23 N6 O10 P S Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WVC 2 Å NON-ENZYME: OTHER GUANYLYLPYRIDINOL (GP)-BOUND HCGF FROM METHANOCALDOCOCCUS JA METHANOCALDOCOCCUS JANNASCHII THIOESTERASE HYDROLASE
Ref.: PROTEIN-PYRIDINOL THIOESTER PRECURSOR FOR BIOSYNTHE THE ORGANOMETALLIC ACYL-IRON LIGAND IN [FE]-HYDROGE COFACTOR NAT COMMUN V. 6 6895 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3WVC - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3WVC - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3WVC - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FEG; Similar ligands found: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 FEG 1 1
2 ZGP 0.87619 0.964286
3 YGP 0.642857 0.883721
4 GNH 0.628571 0.869048
5 GP3 0.625 0.903614
6 Y9Z 0.622807 0.885057
7 GSP 0.62037 0.83908
8 GDP 0.619048 0.879518
9 5GP 0.601942 0.890244
10 G 0.601942 0.890244
11 GTP 0.601852 0.879518
12 GMV 0.601852 0.858824
13 G1R 0.59633 0.891566
14 GCP 0.59633 0.880952
15 GNP 0.590909 0.858824
16 9GM 0.590909 0.858824
17 G2R 0.578947 0.870588
18 GP2 0.574074 0.870588
19 GPG 0.573913 0.892857
20 GDX 0.570248 0.903614
21 GDR 0.563025 0.915663
22 GFB 0.563025 0.915663
23 JB2 0.561983 0.915663
24 JB3 0.56 0.927711
25 GKE 0.554622 0.892857
26 GDD 0.554622 0.892857
27 GDC 0.554622 0.892857
28 GAV 0.552632 0.848837
29 GTG 0.55 0.894118
30 GKD 0.54918 0.892857
31 G2P 0.548673 0.870588
32 G3A 0.545455 0.903614
33 6CK 0.545455 0.872093
34 GPD 0.544715 0.951807
35 ALF 5GP 0.544643 0.808989
36 ALF GDP 0.543103 0.808989
37 GDP ALF 0.543103 0.808989
38 G5P 0.540984 0.903614
39 NGD 0.53125 0.892857
40 GDP AF3 0.529915 0.808989
41 FE9 0.529851 0.804124
42 U2G 0.51938 0.850575
43 MGD 0.518797 0.813187
44 CG2 0.51145 0.850575
45 GDP 7MG 0.504 0.892857
46 G G 0.5 0.903614
47 2MD 0.496241 0.813187
48 GMP 0.495146 0.77381
49 PGD 0.492754 0.840909
50 MD1 0.492754 0.833333
51 G4P 0.487395 0.86747
52 DBG 0.485714 0.882353
53 CAG 0.485294 0.844444
54 0O2 0.483607 0.86747
55 G3D 0.483051 0.86747
56 TPG 0.475177 0.808511
57 3GP 0.468468 0.855422
58 G4M 0.463087 0.908046
59 A G 0.459854 0.891566
60 U A G G 0.456522 0.891566
61 GCP G 0.456 0.833333
62 BGO 0.451852 0.904762
63 G A A A 0.449275 0.880952
64 GPX 0.447154 0.833333
65 2GP 0.442478 0.845238
66 GGM 0.442029 0.883721
67 PGD O 0.441379 0.778947
68 G1R G1R 0.434483 0.904762
69 GPC 0.432624 0.822222
70 G1G 0.426573 0.905882
71 AKW 0.42029 0.852273
72 GH3 0.419355 0.879518
73 G U 0.417266 0.83908
74 DGI 0.416667 0.858824
75 DGT 0.414634 0.858824
76 IDP 0.411765 0.855422
77 G C 0.411348 0.83908
78 DG 0.401709 0.869048
79 DGP 0.401709 0.869048
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WVC; Ligand: FEG; 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: 3wvc.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback