Receptor
PDB id Resolution Class Description Source Keywords
1OTH 1.85 Å EC: 2.1.3.3 CRYSTAL STRUCTURE OF HUMAN ORNITHINE TRANSCARBAMOYLASE COMPL N-PHOSPHONACETYL-L-ORNITHINE HOMO SAPIENS TRANSCARBAMOYLASE TRANSFERASE
Ref.: 1.85-A RESOLUTION CRYSTAL STRUCTURE OF HUMAN ORNITH TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL-L-ORNITHINE. CATALYTIC MECHANISM A CORRELATION WITH INHERITED DEFICIENCY. J.BIOL.CHEM. V. 273 34247 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PAO A:355;
Valid;
none;
submit data
254.178 C7 H15 N2 O6 P C(C[C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OTH 1.85 Å EC: 2.1.3.3 CRYSTAL STRUCTURE OF HUMAN ORNITHINE TRANSCARBAMOYLASE COMPL N-PHOSPHONACETYL-L-ORNITHINE HOMO SAPIENS TRANSCARBAMOYLASE TRANSFERASE
Ref.: 1.85-A RESOLUTION CRYSTAL STRUCTURE OF HUMAN ORNITH TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL-L-ORNITHINE. CATALYTIC MECHANISM A CORRELATION WITH INHERITED DEFICIENCY. J.BIOL.CHEM. V. 273 34247 1998
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1OTH - PAO C7 H15 N2 O6 P C(C[C@@H](....
2 1EP9 - CP C H4 N O5 P C(=O)(N)OP....
3 1C9Y - NVA C5 H11 N O2 CCC[C@@H](....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1OTH - PAO C7 H15 N2 O6 P C(C[C@@H](....
2 1EP9 - CP C H4 N O5 P C(=O)(N)OP....
3 1C9Y - NVA C5 H11 N O2 CCC[C@@H](....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4A8H - PUW C6 H15 N2 O4 P C(CCNC(=O)....
2 4A8P - PAO C7 H15 N2 O6 P C(C[C@@H](....
3 4A8T - PAO C7 H15 N2 O6 P C(C[C@@H](....
4 2I6U - NVA C5 H11 N O2 CCC[C@@H](....
5 1DUV Kd = 1.6 pM PSQ C5 H15 N4 O6 P S C(C[C@@H](....
6 1OTH - PAO C7 H15 N2 O6 P C(C[C@@H](....
7 1EP9 - CP C H4 N O5 P C(=O)(N)OP....
8 1C9Y - NVA C5 H11 N O2 CCC[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PAO; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 PAO 1 1
2 CIR 0.571429 0.615385
3 PA9 0.56 0.942308
4 RPI 0.54 0.8
5 PUW 0.511111 0.92
6 2JJ 0.488372 0.74
7 5OY 0.488372 0.74
8 EOP 0.475 0.843137
9 PSQ 0.471698 0.714286
10 2YH 0.470588 0.627451
11 2YJ 0.45283 0.634615
12 NRG 0.45283 0.634921
13 AS1 0.428571 0.648148
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OTH; Ligand: PAO; 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: 1oth.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1ML4 PAL 50
Pocket No.: 2; Query (leader) PDB : 1OTH; Ligand: PAO; 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: 1oth.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1OTH; Ligand: PAO; 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: 1oth.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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