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...
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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 1256 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 1068 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 922 families.
1 3SK2 Kd = 244 uM GRI C15 H10 N2 O4 COc1ccc(c2....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GRI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GRI 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SK2; Ligand: GRI; Similar sites found: 34
This union binding pocket(no: 1) in the query (biounit: 3sk2.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4XJC TTP 0.01068 0.42313 1.51515
2 4BX7 B4F 0.03109 0.40701 2.34375
3 3EM0 CHD 0.0485 0.41709 3.0303
4 4GJ3 0XP 0.04112 0.40387 3.0303
5 4MAE PQQ 0.02963 0.40044 3.0303
6 3ZS7 ATP 0.0133 0.42145 3.78788
7 2XK9 XK9 0.03048 0.41624 3.78788
8 5N87 N66 0.03463 0.41279 3.78788
9 2OFV 242 0.04886 0.40485 3.78788
10 4H6U ACO 0.01357 0.42056 4.54545
11 5FA8 SAM 0.01991 0.41288 4.54545
12 4BKJ STI 0.03247 0.40336 4.54545
13 3SAO NKN 0.0107 0.41517 6.06061
14 4FHD 0TT 0.03903 0.40548 6.06061
15 4FHD EEM 0.03903 0.40548 6.06061
16 5GRF ADP 0.03757 0.40357 6.06061
17 4BCS BTN 0.006094 0.43022 6.4
18 5JGA 6KC 0.03941 0.40613 6.81818
19 1LYB IVA VAL VAL STA ALA STA 0.04114 0.40144 6.81818
20 2R5E QLP 0.02398 0.40345 7.57576
21 2IYA ZIO 0.007259 0.44103 9.09091
22 3F7Z 34O 0.01864 0.40774 9.09091
23 1ODM ASV 0.01578 0.42071 9.84848
24 1OS7 AKG 0.0291 0.40027 9.84848
25 1OS7 TAU 0.0291 0.40027 9.84848
26 2QZ3 XYP XYP XYP 0.009821 0.42669 10.6061
27 3E7O 35F 0.02129 0.42111 11.3636
28 4JD3 COA 0.03361 0.41881 11.3636
29 4JD3 PLM 0.03596 0.41881 11.3636
30 1Y52 BTN 0.02792 0.4247 12.6984
31 3NW7 LGV 0.0352 0.42039 12.8788
32 4XV1 904 0.03322 0.41205 14.3939
33 2X4Z X4Z 0.04504 0.40563 15.1515
34 1XSE NDP 0.04291 0.41421 16.6667
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