Receptor
PDB id Resolution Class Description Source Keywords
2C9X 1.8 Å EC: 1.-.-.- SULFITE DEHYDROGENASE FROM STARKEYA NOVELLA Y236F MUTANT THIOBACILLUS NOVELLUS SULFITE OXIDASE MOLYBDOPTERIN C-TYPE CYTOCHROME HEME MUTANT OXIDOREDUCTASE
Ref.: KINETIC AND STRUCTURAL EVIDENCE FOR THE IMPORTANCE OF TYR236 FOR THE INTEGRITY OF THE MO ACTIVE SITE IN A BACTERIAL SULFITE DEHYDROGENASE. BIOCHEMISTRY V. 45 9696 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEC B:1582;
Part of Protein;
none;
submit data
618.503 C34 H34 Fe N4 O4 CC=C1...
MSS A:1374;
Valid;
none;
submit data
505.275 C10 H12 Mo N5 O7 P S2 C([C@...
SO4 A:1375;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BLF 1.8 Å EC: 1.-.-.- SULFITE DEHYDROGENASE FROM STARKEYA NOVELLA STARKEYA NOVELLA SULFITE OXIDASE MOLYBDOPTERIN C-TYPE CYTOCHROME HEME ELETRANSPORT OXIDOREDUCTASE
Ref.: MOLECULAR BASIS OF INTRAMOLECULAR ELECTRON TRANSFER SULFITE-OXIDIZING ENZYMES IS REVEALED BY HIGH RESOL STRUCTURE OF A HETERODIMERIC COMPLEX OF THE CATALYT MOLYBDOPTERIN SUBUNIT AND A C-TYPE CYTOCHROME SUBUN J.BIOL.CHEM. V. 280 24999
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 2C9X - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
2 2BLF - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
3 2CA3 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
4 2BPB - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
5 2CA4 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 2C9X - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
2 2BLF - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
3 2CA3 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
4 2BPB - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
5 2CA4 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 2C9X - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
2 2BLF - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
3 2CA3 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
4 2BPB - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
5 2CA4 - 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 : 2BLF; Ligand: MSS; Similar sites found with APoc: 12
This union binding pocket(no: 1) in the query (biounit: 2blf.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2XTS MTE 39.4102
2 2XTS MTE 39.4102
3 2BII MTV 39.6783
4 4PW9 MSS 46.8835
5 5WA0 MSS 47.3973
6 5WA0 MSS 47.3973
7 5WA0 MSS 47.3973
8 5WA0 MSS 47.3973
9 2A9D MTE 49.1936
10 2A9D MTE 49.1936
11 1SOX MTE 49.5979
12 1SOX MTE 49.5979
APoc FAQ
Feedback