Receptor
PDB id Resolution Class Description Source Keywords
4N4J 1.8 Å EC: 1.7.3.4 KUENENIA STUTTGARTIENSIS HYDROXYLAMINE OXIDOREDUCTASE CANDIDATUS KUENENIA STUTTGARTIENSIS C-TYPE CYTOCHROME OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF BIOLOGICAL NO GENERATION BY OCT OXIDOREDUCTASES. J.BIOL.CHEM. V. 289 1228 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:604;
A:603;
A:602;
A:601;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
94.971 O4 P [O-]P...
HEC A:616;
A:611;
A:615;
A:609;
A:613;
A:610;
A:614;
A:612;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
618.503 C34 H34 Fe N4 O4 CC=C1...
HG1 A:606;
A:608;
A:607;
A:605;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
377.473 C18 H35 N O7 C1CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N4J 1.8 Å EC: 1.7.3.4 KUENENIA STUTTGARTIENSIS HYDROXYLAMINE OXIDOREDUCTASE CANDIDATUS KUENENIA STUTTGARTIENSIS C-TYPE CYTOCHROME OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF BIOLOGICAL NO GENERATION BY OCT OXIDOREDUCTASES. J.BIOL.CHEM. V. 289 1228 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4N4L - HG1 C18 H35 N O7 C1CCC(CC1)....
2 4N4M - PHZ C6 H8 N2 c1ccc(cc1)....
3 4N4J - HG1 C18 H35 N O7 C1CCC(CC1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4N4L - HG1 C18 H35 N O7 C1CCC(CC1)....
2 4N4M - PHZ C6 H8 N2 c1ccc(cc1)....
3 4N4J - HG1 C18 H35 N O7 C1CCC(CC1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4N4L - HG1 C18 H35 N O7 C1CCC(CC1)....
2 4N4M - PHZ C6 H8 N2 c1ccc(cc1)....
3 4N4J - HG1 C18 H35 N O7 C1CCC(CC1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HG1; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 HG1 1 1
2 2CV 0.529412 0.857143
3 HG9 0.529412 0.857143
Similar Ligands (3D)
Ligand no: 1; Ligand: HG1; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4N4J; Ligand: HG1; 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: 4n4j.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4N4J; Ligand: HG1; 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: 4n4j.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4N4J; Ligand: HG1; 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: 4n4j.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4N4J; Ligand: HG1; 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: 4n4j.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4n4j.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4n4j.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4n4j.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4n4j.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4n4j.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4n4j.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4n4j.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4n4j.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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