Receptor
PDB id Resolution Class Description Source Keywords
3SK2 1.01 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PHENAZINE RESISTANCE PROTEIN EHPR FROM ENTEROBACTER AGGLOMERANS (ERWINIA HERBICOLA, PANTOEA AGGLOME H1087 IN COMPLEX WITH GRISEOLUTEIC ACID PANTOEA AGGLOMERANS ANTIBIOTIC RESISTANCE GRISEOLUTEATE-BINDING PROTEIN
Ref.: ATOMIC RESOLUTION STRUCTURE OF EHPR: PHENAZINE RESI ENTEROBACTER AGGLOMERANS EH1087 FOLLOWS PRINCIPLES BLEOMYCIN / MITOMYCIN C RESISTANCE IN OTHER BACTERI BMC STRUCT.BIOL. V. 11 33 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GRI A:130;
 Valid;
 none;
 Kd = 244 uM
282.251 C15 H10 N2 O4 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SK2 1.01 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PHENAZINE RESISTANCE PROTEIN EHPR FROM ENTEROBACTER AGGLOMERANS (ERWINIA HERBICOLA, PANTOEA AGGLOME H1087 IN COMPLEX WITH GRISEOLUTEIC ACID PANTOEA AGGLOMERANS ANTIBIOTIC RESISTANCE GRISEOLUTEATE-BINDING PROTEIN
Ref.: ATOMIC RESOLUTION STRUCTURE OF EHPR: PHENAZINE RESI ENTEROBACTER AGGLOMERANS EH1087 FOLLOWS PRINCIPLES BLEOMYCIN / MITOMYCIN C RESISTANCE IN OTHER BACTERI BMC STRUCT.BIOL. V. 11 33 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3SK2 Kd = 244 uM GRI C15 H10 N2 O4 COc1ccc(c2....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3SK2 Kd = 244 uM GRI C15 H10 N2 O4 COc1ccc(c2....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3SK2 Kd = 244 uM GRI C15 H10 N2 O4 COc1ccc(c2....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GRI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GRI 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: GRI; Similar ligands found: 46
No: Ligand Similarity coefficient
1 CB1 0.9278
2 43S 0.9248
3 DBF 0.9158
4 HNA 0.9117
5 MNX 0.9088
6 JY4 0.9050
7 MNY 0.9037
8 ACE TRP 0.8992
9 HDU 0.8979
10 19E 0.8937
11 TXQ 0.8907
12 1YE 0.8885
13 XM5 0.8879
14 9RM 0.8877
15 GLC GAL 0.8844
16 T28 0.8815
17 NOY BGC 0.8807
18 JRO 0.8806
19 BGC GAL 0.8806
20 NOM 0.8804
21 IFM BGC 0.8797
22 CZ0 0.8790
23 GAA 0.8779
24 581 0.8742
25 HFZ 0.8741
26 Z73 0.8738
27 BGC BGC 0.8730
28 JWS 0.8720
29 GCS GCS 0.8700
30 REF 0.8700
31 HMD 0.8695
32 372 0.8693
33 DNQ 0.8686
34 II4 0.8649
35 PMA 0.8649
36 1YL 0.8614
37 MC 0.8614
38 GWD 0.8612
39 64E 0.8611
40 4E3 0.8605
41 NAG GAL 0.8601
42 64C 0.8590
43 9CE 0.8580
44 EMO 0.8570
45 537 0.8567
46 EQR 0.8563
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SK2; Ligand: GRI; 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: 3sk2.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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