Receptor
PDB id Resolution Class Description Source Keywords
6ALO 1.79 Å EC: 1.-.-.- VIOC L-ARGININE HYDROXYLASE BOUND TO FE(II), L-ARGININE, AND PEROXYSUCCINATE INTERMEDIATE STREPTOMYCES VINACEUS HYDROXYLASE 2-OXO-GLUTARATE IRON OXIDOREDUCTASE
Ref.: VISUALIZING THE REACTION CYCLE IN AN IRON(II)- AND 2-(OXO)-GLUTARATE-DEPENDENT HYDROXYLASE. J. AM. CHEM. SOC. V. 139 13830 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OKG A:403;
Valid;
none;
submit data
133.079 C4 H5 O5 C(CC(...
FE2 A:401;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WBP 1.16 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF VIOC IN COMPLEX WITH FE(II), (2S,3S)- HYDROXYARGININE, AND SUCCINATE STREPTOMYCES VINACEUS OXIDOREDUCTASE NON-HEME FE(II) HYDROXYLASE CBETA-HYDROXYLATION NRPS VIOMYCIN ALPHA-KETOGLUTARATE
Ref.: STRUCTURAL BASIS FOR THE ERYTHRO-STEREOSPECIFICITY OF THE L-ARGININE OXYGENASE VIOC IN VIOMYCIN BIOSYNTHESIS. FEBS J. V. 276 3669 2009
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 352 families.
1 6DAX - HRG C7 H16 N4 O2 C(CCNC(=N)....
2 2WBO - TLA C4 H6 O6 [C@@H]([C@....
3 6ALP - SIN C4 H6 O4 C(CC(=O)O)....
4 2WBP - SIN C4 H6 O4 C(CC(=O)O)....
5 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
6 6MP9 - JX7 C6 H11 N3 O3 [H]/N=C(/N....
7 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
8 6DB2 - SIN C4 H6 O4 C(CC(=O)O)....
9 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
10 6ALQ - SIN C4 H6 O4 C(CC(=O)O)....
11 6MP8 - DAR C6 H15 N4 O2 C(C[C@H](C....
12 6DAZ - SIN C4 H6 O4 C(CC(=O)O)....
13 6ALR - SIN C4 H6 O4 C(CC(=O)O)....
14 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 311 families.
1 6DAX - HRG C7 H16 N4 O2 C(CCNC(=N)....
2 2WBO - TLA C4 H6 O6 [C@@H]([C@....
3 6ALP - SIN C4 H6 O4 C(CC(=O)O)....
4 2WBP - SIN C4 H6 O4 C(CC(=O)O)....
5 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
6 6MP9 - JX7 C6 H11 N3 O3 [H]/N=C(/N....
7 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
8 6DB2 - SIN C4 H6 O4 C(CC(=O)O)....
9 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
10 6ALQ - SIN C4 H6 O4 C(CC(=O)O)....
11 6MP8 - DAR C6 H15 N4 O2 C(C[C@H](C....
12 6DAZ - SIN C4 H6 O4 C(CC(=O)O)....
13 6ALR - SIN C4 H6 O4 C(CC(=O)O)....
14 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 207 families.
1 6DAX - HRG C7 H16 N4 O2 C(CCNC(=N)....
2 2WBO - TLA C4 H6 O6 [C@@H]([C@....
3 6ALP - SIN C4 H6 O4 C(CC(=O)O)....
4 2WBP - SIN C4 H6 O4 C(CC(=O)O)....
5 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
6 6MP9 - JX7 C6 H11 N3 O3 [H]/N=C(/N....
7 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
8 6DB2 - SIN C4 H6 O4 C(CC(=O)O)....
9 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
10 6ALQ - SIN C4 H6 O4 C(CC(=O)O)....
11 6MP8 - DAR C6 H15 N4 O2 C(C[C@H](C....
12 6DAZ - SIN C4 H6 O4 C(CC(=O)O)....
13 6ALR - SIN C4 H6 O4 C(CC(=O)O)....
14 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
15 6DAW - ARG C6 H15 N4 O2 C(C[C@@H](....
16 4M2G - 2OR C6 H15 N4 O4 C([C@H]([C....
17 4M26 - ZZU C6 H14 N4 O3 C(CNC(=N)N....
18 4M2E - HRG C7 H16 N4 O2 C(CCNC(=N)....
19 4M2C - DAR C6 H15 N4 O2 C(C[C@H](C....
20 4M25 - AKG C5 H6 O5 C(CC(=O)O)....
21 4M2F - GGB C5 H12 N4 O3 [H]/N=C(N)....
22 4M27 - ARG C6 H15 N4 O2 C(C[C@@H](....
23 4NE0 - SIN C4 H6 O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OKG; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OKG 1 1
2 SIN 0.454545 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WBP; Ligand: ARG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2wbp.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2WBP; Ligand: SIN; Similar sites found with APoc: 15
This union binding pocket(no: 2) in the query (biounit: 2wbp.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 4OJ8 AKG 5.11945
2 1NX4 AKG 5.12821
3 1NX4 AKG 5.12821
4 1NX4 AKG 5.12821
5 6F6J CUW 37.1508
6 6F6J SIN 37.1508
7 6F6J SIN 37.1508
8 6F6J CUW 37.1508
9 6F6J CUW 37.1508
10 6F6J SIN 37.1508
11 6F6J CUW 37.1508
12 6F6J SIN 37.1508
13 6EXF LYS 37.9888
14 1DRY AAG 39.6648
15 1DRY AKG 39.6648
Pocket No.: 3; Query (leader) PDB : 2WBP; Ligand: ZZU; Similar sites found with APoc: 15
This union binding pocket(no: 3) in the query (biounit: 2wbp.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 4OJ8 AKG 5.11945
2 1NX4 AKG 5.12821
3 1NX4 AKG 5.12821
4 1NX4 AKG 5.12821
5 6F6J CUW 37.1508
6 6F6J SIN 37.1508
7 6F6J SIN 37.1508
8 6F6J CUW 37.1508
9 6F6J CUW 37.1508
10 6F6J SIN 37.1508
11 6F6J CUW 37.1508
12 6F6J SIN 37.1508
13 6EXF LYS 37.9888
14 1DRY AAG 39.6648
15 1DRY AKG 39.6648
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