Receptor
PDB id Resolution Class Description Source Keywords
1ML4 1.8 Å EC: 2.1.3.2 THE PALA-LIGANDED ASPARTATE TRANSCARBAMOYLASE CATALYTIC SUBU PYROCOCCUS ABYSSI PYROCOCCUS ABYSSI BETA PLEATED SHEET PROTEIN INHIBITOR COMPLEX TRANSFERASE
Ref.: ASPARTATE TRANSCARBAMYLASE FROM THE HYPERTHERMOPHIL ARCHAEON PYROCOCCUS ABYSSI: THERMOSTABILITY AND 1.8 RESOLUTION CRYSTAL STRUCTURE OF THE CATALYTIC SUBUN COMPLEXED WITH THE BISUBSTRATE ANALOGUE N-PHOSPHONACETYL-L-ASPARTATE. J.MOL.BIOL.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PAL A:385;
Valid;
none;
submit data
255.119 C6 H10 N O8 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ML4 1.8 Å EC: 2.1.3.2 THE PALA-LIGANDED ASPARTATE TRANSCARBAMOYLASE CATALYTIC SUBU PYROCOCCUS ABYSSI PYROCOCCUS ABYSSI BETA PLEATED SHEET PROTEIN INHIBITOR COMPLEX TRANSFERASE
Ref.: ASPARTATE TRANSCARBAMYLASE FROM THE HYPERTHERMOPHIL ARCHAEON PYROCOCCUS ABYSSI: THERMOSTABILITY AND 1.8 RESOLUTION CRYSTAL STRUCTURE OF THE CATALYTIC SUBUN COMPLEXED WITH THE BISUBSTRATE ANALOGUE N-PHOSPHONACETYL-L-ASPARTATE. J.MOL.BIOL.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1ML4 - PAL C6 H10 N O8 P C([C@@H](C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1ML4 - PAL C6 H10 N O8 P C([C@@H](C....
2 1EKX - PAL C6 H10 N O8 P C([C@@H](C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5G1N Kd = 1.4 uM PAL C6 H10 N O8 P C([C@@H](C....
2 1ML4 - PAL C6 H10 N O8 P C([C@@H](C....
3 3R7F - CP C H4 N O5 P C(=O)(N)OP....
4 6HL7 - CP C H4 N O5 P C(=O)(N)OP....
5 1EKX - PAL C6 H10 N O8 P C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PAL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PAL 1 1
2 6PR 0.666667 0.911111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ML4; Ligand: PAL; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 1ml4.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1DUV PSQ 42.2078
2 1DUV PSQ 42.2078
3 4A8H PUW 47.4026
4 4A8H PUW 47.4026
5 4A8T PAO 47.4026
6 1OTH PAO 50
Pocket No.: 2; Query (leader) PDB : 1ML4; Ligand: PAL; 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: 1ml4.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1ML4; Ligand: PAL; 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: 1ml4.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1ML4; Ligand: PAL; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 1ml4.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3L02 SN0 25
2 3L02 CP 25
3 4A8T PAO 47.4026
Pocket No.: 5; Query (leader) PDB : 1ML4; Ligand: PAL; 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: 1ml4.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1ML4; Ligand: PAL; 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: 1ml4.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1ML4; Ligand: PAL; Similar sites found with APoc: 1
This union binding pocket(no: 7) in the query (biounit: 1ml4.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4A8T PAO 47.4026
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