Receptor
PDB id Resolution Class Description Source Keywords
6C3C 1.5 Å NON-ENZYME: OTHER PLP-DEPENDENT L-ARGININE HYDROXYLASE ROHP QUINONOID I COMPLE STREPTOMYCES CATTLEYA O2- PLP-DEPENDENT HYDROXYLASE BIOSYNTHETIC PROTEIN
Ref.: SNAPSHOTS OF THE CATALYTIC CYCLE OF AN O2, PYRIDOXA PHOSPHATE-DEPENDENT HYDROXYLASE. ACS CHEM. BIOL. V. 13 965 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:403;
B:406;
A:404;
A:403;
B:401;
B:404;
B:402;
A:401;
B:407;
A:402;
B:405;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
EJ1 B:409;
A:406;
Valid;
Valid;
none;
none;
submit data
403.328 C14 H22 N5 O7 P [H]/N...
PEG B:408;
A:405;
Invalid;
Invalid;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6C3C 1.5 Å NON-ENZYME: OTHER PLP-DEPENDENT L-ARGININE HYDROXYLASE ROHP QUINONOID I COMPLE STREPTOMYCES CATTLEYA O2- PLP-DEPENDENT HYDROXYLASE BIOSYNTHETIC PROTEIN
Ref.: SNAPSHOTS OF THE CATALYTIC CYCLE OF AN O2, PYRIDOXA PHOSPHATE-DEPENDENT HYDROXYLASE. ACS CHEM. BIOL. V. 13 965 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6C3A - EGV C6 H11 N3 O4 [H]/N=C(/N....
2 6C3D - EMS C14 H20 N5 O7 P [H]/N=C(N)....
3 6C3C - EJ1 C14 H22 N5 O7 P [H]/N=C(N)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6C3A - EGV C6 H11 N3 O4 [H]/N=C(/N....
2 6C3D - EMS C14 H20 N5 O7 P [H]/N=C(N)....
3 6C3C - EJ1 C14 H22 N5 O7 P [H]/N=C(N)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6C3A - EGV C6 H11 N3 O4 [H]/N=C(/N....
2 6C3D - EMS C14 H20 N5 O7 P [H]/N=C(N)....
3 6C3C - EJ1 C14 H22 N5 O7 P [H]/N=C(N)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EJ1; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 EJ1 1 1
2 PM9 0.666667 0.80303
3 PLI 0.644737 0.819672
4 EMS 0.639535 0.933333
5 P71 0.604651 0.822581
6 P61 0.576087 0.73913
7 LJS 0.569767 0.852459
8 EBR 0.466667 0.75
9 P3B 0.438776 0.784615
10 2B9 0.4375 0.695652
Similar Ligands (3D)
Ligand no: 1; Ligand: EJ1; Similar ligands found: 4
No: Ligand Similarity coefficient
1 PPG 0.8794
2 3LM 0.8790
3 PY6 0.8687
4 PDG 0.8648
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6C3C; Ligand: EJ1; 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: 6c3c.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6C3C; Ligand: EJ1; 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: 6c3c.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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