Receptor
PDB id Resolution Class Description Source Keywords
4PW9 2.49 Å EC: 1.8.3.1 CRYSTAL STRUCTURE OF THE ELECTRON-TRANSFER COMPLEX FORMED BE SULFITE DEHYDROGENASE AND A C-TYPE CYTOCHROME FROM SINORHIZM ELILOTI SINORHIZOBIUM MELILOTI SULFITE OXIDASE SULFITE DEHYDROGENASE MOLYBDOPTERIN OXIDOREDUCTASE ELECTRON TRANSPORT ELECTRON TRANSFER ELECTRANSFER COMPLEX C-TYPE CYTOCHROME HEME OXIDOREDUCTASE-ETRANSPORT COMPLEX
Ref.: STRUCTURAL BASIS OF INTERPROTEIN ELECTRON TRANSFER BACTERIAL SULFITE OXIDATION. ELIFE V. 4 09066 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MSS A:401;
Valid;
none;
submit data
505.275 C10 H12 Mo N5 O7 P S2 C([C@...
HEC B:201;
Part of Protein;
none;
submit data
618.503 C34 H34 Fe N4 O4 CC=C1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PW9 2.49 Å EC: 1.8.3.1 CRYSTAL STRUCTURE OF THE ELECTRON-TRANSFER COMPLEX FORMED BE SULFITE DEHYDROGENASE AND A C-TYPE CYTOCHROME FROM SINORHIZM ELILOTI SINORHIZOBIUM MELILOTI SULFITE OXIDASE SULFITE DEHYDROGENASE MOLYBDOPTERIN OXIDOREDUCTASE ELECTRON TRANSPORT ELECTRON TRANSFER ELECTRANSFER COMPLEX C-TYPE CYTOCHROME HEME OXIDOREDUCTASE-ETRANSPORT COMPLEX
Ref.: STRUCTURAL BASIS OF INTERPROTEIN ELECTRON TRANSFER BACTERIAL SULFITE OXIDATION. ELIFE V. 4 09066 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PW9 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4PW9 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4PW9 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MSS; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 MSS 1 1
2 XAX 0.666667 0.974359
3 MTE 0.6 0.884615
4 PTE 0.432432 0.9
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PW9; Ligand: MSS; Similar sites found: 21
This union binding pocket(no: 1) in the query (biounit: 4pw9.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5KJW 53C 0.01678 0.40942 3.79404
2 4RPL 3UC 0.04352 0.40082 4.06504
3 5N53 8NB 0.02451 0.40695 4.10256
4 5C2N NAG 0.02342 0.40629 4.16667
5 4BTV RB3 0.01279 0.42101 5.66038
6 2CYC TYR 0.02583 0.40498 5.66038
7 1HGX 5GP 0.01629 0.40915 6.01093
8 3DUV KDO 0.00645 0.43427 6.60377
9 3K8D KDO 0.007541 0.43078 6.60377
10 2RCU BUJ 0.02883 0.40135 6.60377
11 2YFB SIN 0.005139 0.41683 6.97674
12 4TS1 TYR 0.02182 0.40696 7.54717
13 1SQL GUN 0.01251 0.4177 11.6438
14 2OFD NGA 0.01988 0.41257 14.0845
15 2OFE NAG 0.02224 0.40958 14.0845
16 4Z2S NAG 0.02445 0.4077 14.0845
17 4Z2S NDG 0.02445 0.4077 14.0845
18 1YQZ FAD 0.0362 0.40061 16.0377
19 1XDY MTE 0.000008644 0.50581 16.443
20 2XTS MTE 0.0000000001556 0.7164 38.2114
21 2BLF MSS 0.0000000000452 0.74896 46.8835
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