Receptor
PDB id Resolution Class Description Source Keywords
1SOX 1.9 Å EC: 1.8.3.1 SULFITE OXIDASE FROM CHICKEN LIVER GALLUS GALLUS OXIDOREDUCTASE SULFITE OXIDATION
Ref.: MOLECULAR BASIS OF SULFITE OXIDASE DEFICIENCY FROM STRUCTURE OF SULFITE OXIDASE. CELL(CAMBRIDGE,MASS.) V. 91 973 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EPE B:911;
Invalid;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
GOL A:912;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
HEM A:502;
B:502;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
MO A:505;
B:505;
Part of Protein;
Part of Protein;
none;
none;
submit data
95.94 Mo [Mo]
MTE A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
395.352 C10 H14 N5 O6 P S2 C([C@...
SO4 A:503;
A:504;
B:503;
B:504;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SOX 1.9 Å EC: 1.8.3.1 SULFITE OXIDASE FROM CHICKEN LIVER GALLUS GALLUS OXIDOREDUCTASE SULFITE OXIDATION
Ref.: MOLECULAR BASIS OF SULFITE OXIDASE DEFICIENCY FROM STRUCTURE OF SULFITE OXIDASE. CELL(CAMBRIDGE,MASS.) V. 91 973 1997
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3HBP - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
2 3R18 - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
3 1SOX - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
4 3HBG - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
5 3R19 - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HBP - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
2 3R18 - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
3 1SOX - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
4 3HBG - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
5 3R19 - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
6 2A99 - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
7 2A9A - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
8 2A9D - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HBP - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
2 3R18 - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
3 1SOX - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
4 3HBG - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
5 3R19 - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
6 2A99 - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
7 2A9A - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
8 2A9D - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MTE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 MTE 1 1
2 PTE 0.659341 0.934211
3 MSS 0.6 0.884615
4 XAX 0.574713 0.886076
5 MGD 0.541284 0.855422
6 PGD O 0.41129 0.816092
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SOX; Ligand: MTE; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1sox.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2XTS MTE 38.2051
2 2BII MTV 43.3962
Pocket No.: 2; Query (leader) PDB : 1SOX; Ligand: MTE; 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: 1sox.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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