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 (2D)
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 Ligands (3D)
Ligand no: 1; Ligand: MSS; Similar ligands found: 5
No: Ligand Similarity coefficient
1 MTV 0.9605
2 AMZ 0.8752
3 AMP 0.8719
4 IMP 0.8688
5 A3P 0.8596
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PW9; Ligand: MSS; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 4pw9.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2XTS MTE 38.2114
2 2XTS MTE 38.2114
3 2BII MTV 42.0054
4 2BII MTV 42.0054
5 2BLF MSS 46.8835
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