Receptor
PDB id Resolution Class Description Source Keywords
4PW3 2.35 Å EC: 1.8.3.1 CRYSTAL STRUCTURE OF THE SULFITE DEHYDROGENASE SORT FROM SIN MELILOTI SINORHIZOBIUM MELILOTI SULFITE OXIDASE SULFITE DEHYDROGENASE MOLYBDOPTERIN OXIDO
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;
B:401;
D:401;
C:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
505.275 C10 H12 Mo N5 O7 P S2 C([C@...
EDO C:402;
B:402;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WA0 2.1 Å EC: 1.8.3.1 CRYSTAL STRUCTURE OF THE SULFITE DEHYDROGENASE, SORT R78Q MU SINORHIZOBIUM MELILOTI RHIZOBIUM MELILOTI (STRAIN 1021) SULFITE DEHYDROGENASE METAL BINDING PROTEIN OXIDOREDUCTASE
Ref.: THE CENTRAL ACTIVE SITE ARGININE IN SULFITE OXIDIZI ENZYMES ALTERS KINETIC PROPERTIES BY CONTROLLING EL TRANSFER AND REDOX INTERACTIONS. BIOCHIM. BIOPHYS. ACTA V.1859 19 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PW3 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
2 5WA0 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4PW3 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
2 5WA0 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4PW3 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
2 5WA0 - 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 : 5WA0; Ligand: MSS; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5wa0.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2XTS MTE 36.4384
Pocket No.: 2; Query (leader) PDB : 5WA0; Ligand: MSS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5wa0.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5WA0; Ligand: MSS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5wa0.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5WA0; Ligand: MSS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5wa0.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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