Receptor
PDB id Resolution Class Description Source Keywords
1JIF 1.6 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF BLEOMYCIN-BINDING PROTEIN FROM BLEOMYCIN-PRODUCING STREPTOMYCES VERTICILLUS COMPLEXED W ITH COPPER(II)-BLEOMYCIN STREPTOMYCES VERTICILLUS PROTEIN-LIGAND COMPLEX PROTEIN BINDING
Ref.: THE 1.6-A CRYSTAL STRUCTURE OF THE COPPER(II)-BOUND BLEOMYCIN COMPLEXED WITH THE BLEOMYCIN-BINDING PROTEIN FROM BLEOMYCIN-PRODUCING STREPTOMYCES VERTICILLUS. J.BIOL.CHEM. V. 277 2311 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:502;
B:501;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
CU BLM A:404;
B:403;
Valid;
Valid;
none;
none;
Kd ~ 350 nM
1435.07 n/a s1c([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JIF 1.6 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF BLEOMYCIN-BINDING PROTEIN FROM BLEOMYCIN-PRODUCING STREPTOMYCES VERTICILLUS COMPLEXED W ITH COPPER(II)-BLEOMYCIN STREPTOMYCES VERTICILLUS PROTEIN-LIGAND COMPLEX PROTEIN BINDING
Ref.: THE 1.6-A CRYSTAL STRUCTURE OF THE COPPER(II)-BOUND BLEOMYCIN COMPLEXED WITH THE BLEOMYCIN-BINDING PROTEIN FROM BLEOMYCIN-PRODUCING STREPTOMYCES VERTICILLUS. J.BIOL.CHEM. V. 277 2311 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1JIE - BLM C55 H85 N17 O21 S3 Cc1c(nc(nc....
2 1JIF Kd ~ 350 nM CU BLM n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1JIE - BLM C55 H85 N17 O21 S3 Cc1c(nc(nc....
2 1JIF Kd ~ 350 nM CU BLM n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1JIE - BLM C55 H85 N17 O21 S3 Cc1c(nc(nc....
2 1JIF Kd ~ 350 nM CU BLM n/a n/a
3 2ZHP Ka = 47100000 M^-1 BY6 CU n/a n/a
4 1XRK - BLM C55 H85 N17 O21 S3 Cc1c(nc(nc....
5 5CJ3 - 52G C55 H85 N19 O21 S2 [H]/N=C(CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CU BLM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CU BLM 1 1
2 BY6 CU 0.770833 0.908046
3 BLM 0.673077 0.943182
4 52G 0.467213 0.847826
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JIF; Ligand: CU BLM; Similar sites found: 41
This union binding pocket(no: 1) in the query (biounit: 1jif.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RDL FUC GAL NDG FUC 0.01344 0.4269 None
2 2BVE PH5 0.02285 0.42383 None
3 5N1X 8HH 0.02996 0.40823 None
4 3W68 PBU 0.03891 0.40388 None
5 1GMN IDS SGN IDS SGN IDS 0.0391 0.40007 None
6 3TW1 AHN 0.03833 0.40257 1.63934
7 4WOE ADP 0.001586 0.4758 2.45902
8 4G0P U5P 0.03106 0.41439 2.45902
9 3V8S 0HD 0.01129 0.40905 3.27869
10 1H4H XYP XYS XYP 0.005744 0.42276 4.09836
11 2QZ3 XYP XYP XYP 0.003163 0.42007 4.09836
12 4BG4 ADP 0.008579 0.4111 4.09836
13 3RGA LSB 0.01598 0.402 4.09836
14 4IAW LIZ 0.03188 0.40155 4.09836
15 3NNT DQA 0.008231 0.42738 4.91803
16 4GLW NMN 0.0111 0.4091 4.91803
17 1N9L FMN 0.006364 0.41354 5.50459
18 2QL9 CIT 0.003943 0.46033 5.7377
19 3M3E GAL A2G NPO 0.009955 0.42718 5.7377
20 2ZL7 FUC GAL NGA 0.01808 0.41639 5.7377
21 3ZGJ RMN 0.02392 0.41217 5.7377
22 2Z6D FMN 0.009593 0.40556 5.7377
23 4OEE GNX IDY 0.03676 0.404 5.7377
24 4P25 FUC GAL NAG FUC 0.002586 0.43486 6.55738
25 2VGD XYP XYP 0.02038 0.40442 6.55738
26 3JQ3 ADP 0.02369 0.40433 6.55738
27 4DSU BZI 0.004468 0.45668 7.37705
28 5DYO FLU 0.01436 0.42602 7.37705
29 4WUJ FMN 0.006968 0.41178 7.37705
30 4HK8 XYP XYP XYP XYP XYP XYP 0.006974 0.40232 7.37705
31 4B9E FAH 0.04742 0.40195 8.19672
32 5NCF 8T5 0.01654 0.42065 10.6195
33 4AZT LY2 0.014 0.41581 10.6557
34 2XG5 EC5 0.004671 0.43824 12.2951
35 2XG5 EC2 0.004671 0.43824 12.2951
36 3PUR 2HG 0.02352 0.41509 13.9344
37 2PNC CLU 0.02898 0.40842 13.9344
38 5KEW 6SB 0.02747 0.4049 17.0213
39 2G30 ALA ALA PHE 0.004073 0.40692 28.6885
40 3O2K DST 0.01436 0.42389 31.9672
41 1EWJ BLM 0.0000265 0.49311 39.3443
Pocket No.: 2; Query (leader) PDB : 1JIF; Ligand: CU BLM; Similar sites found: 2
This union binding pocket(no: 2) in the query (biounit: 1jif.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1I06 TZL 0.03444 0.40107 2.45902
2 3OUM TOF 0.03038 0.40369 28.6885
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