Receptor
PDB id Resolution Class Description Source Keywords
3L02 2.3 Å EC: 2.1.3.9 CRYSTAL STRUCTURE OF N-ACETYL-L-ORNITHINE TRANSCARBAMYLASE E92A MUTANT COMPLEXED WITH CARBAMYL PHOSPHATE AND N- S UCCINYL-L-NORVALINE XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS TRANSCARBAMYLASE AMINO-ACID BIOSYNTHESIS ARGININE BIOSYNTHESIS CYTOPLASM TRANSFERASE
Ref.: A SINGLE MUTATION IN THE ACTIVE SITE SWAPS THE SUBSTRATE SPECIFICITY OF N-ACETYL-L-ORNITHINE TRANSCARBAMYLASE AND N-SUCCINYL-L-ORNITHINE TRANSCARBAMYLASE. PROTEIN SCI. V. 16 1689 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CP A:346;
Valid;
none;
submit data
141.02 C H4 N O5 P C(=O)...
SN0 A:345;
Valid;
none;
submit data
217.219 C9 H15 N O5 CCC[C...
SO4 A:349;
A:350;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L02 2.3 Å EC: 2.1.3.9 CRYSTAL STRUCTURE OF N-ACETYL-L-ORNITHINE TRANSCARBAMYLASE E92A MUTANT COMPLEXED WITH CARBAMYL PHOSPHATE AND N- S UCCINYL-L-NORVALINE XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS TRANSCARBAMYLASE AMINO-ACID BIOSYNTHESIS ARGININE BIOSYNTHESIS CYTOPLASM TRANSFERASE
Ref.: A SINGLE MUTATION IN THE ACTIVE SITE SWAPS THE SUBSTRATE SPECIFICITY OF N-ACETYL-L-ORNITHINE TRANSCARBAMYLASE AND N-SUCCINYL-L-ORNITHINE TRANSCARBAMYLASE. PROTEIN SCI. V. 16 1689 2007
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3L02 - SN0 C9 H15 N O5 CCC[C@@H](....
2 3KZK - OLN C8 H15 N3 O4 CC(=O)N[C@....
3 3KZO - CP C H4 N O5 P C(=O)(N)OP....
4 3KZN - AOR C7 H14 N2 O3 CC(=O)N[C@....
5 3M5D - PA9 C9 H17 N2 O7 P CC(=O)N[C@....
6 3M4N - PA9 C9 H17 N2 O7 P CC(=O)N[C@....
7 3KZM - CP C H4 N O5 P C(=O)(N)OP....
8 3M5C - PA9 C9 H17 N2 O7 P CC(=O)N[C@....
9 3L04 - SN0 C9 H15 N O5 CCC[C@@H](....
10 3M4J - PA9 C9 H17 N2 O7 P CC(=O)N[C@....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3L02 - SN0 C9 H15 N O5 CCC[C@@H](....
2 3KZK - OLN C8 H15 N3 O4 CC(=O)N[C@....
3 3KZO - CP C H4 N O5 P C(=O)(N)OP....
4 3KZN - AOR C7 H14 N2 O3 CC(=O)N[C@....
5 3M5D - PA9 C9 H17 N2 O7 P CC(=O)N[C@....
6 3M4N - PA9 C9 H17 N2 O7 P CC(=O)N[C@....
7 3KZM - CP C H4 N O5 P C(=O)(N)OP....
8 3M5C - PA9 C9 H17 N2 O7 P CC(=O)N[C@....
9 3L04 - SN0 C9 H15 N O5 CCC[C@@H](....
10 3M4J - PA9 C9 H17 N2 O7 P CC(=O)N[C@....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3L02 - SN0 C9 H15 N O5 CCC[C@@H](....
2 3KZK - OLN C8 H15 N3 O4 CC(=O)N[C@....
3 3KZO - CP C H4 N O5 P C(=O)(N)OP....
4 3KZN - AOR C7 H14 N2 O3 CC(=O)N[C@....
5 3M5D - PA9 C9 H17 N2 O7 P CC(=O)N[C@....
6 3M4N - PA9 C9 H17 N2 O7 P CC(=O)N[C@....
7 3KZM - CP C H4 N O5 P C(=O)(N)OP....
8 3M5C - PA9 C9 H17 N2 O7 P CC(=O)N[C@....
9 3L04 - SN0 C9 H15 N O5 CCC[C@@H](....
10 3M4J - PA9 C9 H17 N2 O7 P CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CP; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CP 1 1
2 UVW 0.52381 0.638889
3 PCT 0.409091 0.731707
Ligand no: 2; Ligand: SN0; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 SN0 1 1
2 SMG 0.627907 0.810811
3 SUO 0.604651 0.777778
4 NSK 0.577778 0.756757
5 SUG 0.52 0.651163
6 AN0 0.512821 0.818182
7 C4L 0.511628 0.861111
8 C6L 0.458333 0.794872
9 CYK 0.44898 0.789474
10 16E 0.44898 0.848485
11 NLG 0.428571 0.84375
12 1K4 0.423077 0.775
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3L02; Ligand: CP; 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: 3l02.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3L02; Ligand: CP; 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: 3l02.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3L02; Ligand: CP; 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: 3l02.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3L02; Ligand: SN0; 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: 3l02.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3L02; Ligand: SN0; 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: 3l02.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3L02; Ligand: SN0; 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: 3l02.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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