Receptor
PDB id Resolution Class Description Source Keywords
3KZK 1.9 Å EC: 2.1.3.9 CRYSTAL STRUCTURE OF ACETYLORNITHINE TRANSCARBAMYLASE COMPLE ACETYLCITRULLINE XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS TRANSCARBAMYLASE AMINO-ACID BIOSYNTHESIS ARGININE BIOSYNTHCYTOPLASM TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF N-ACETYLORNITHINE TRANSCARBAMY XANTHOMONAS CAMPESTRIS: A NOVEL ENZYME IN A NEW ARG BIOSYNTHETIC PATHWAY FOUND IN SEVERAL EUBACTERIA. J.BIOL.CHEM. V. 280 14366 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLN A:345;
 Valid;
 none;
 submit data
217.222 C8 H15 N3 O4 CC(=O...
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 (2D)
Ligand no: 1; Ligand: OLN; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 OLN 1 1
2 AAG 0.714286 0.878049
3 PA9 0.617021 0.648148
4 AOR 0.585366 0.842105
5 CIR 0.488372 0.894737
6 NLQ 0.488372 0.769231
7 AN0 0.487805 0.634146
8 NLG 0.47619 0.692308
9 AME 0.444444 0.636364
10 SAC 0.425 0.658537
11 SUG 0.418182 0.813953
12 SC2 0.414634 0.65
Similar Ligands (3D)
Ligand no: 1; Ligand: OLN; Similar ligands found: 14
No: Ligand Similarity coefficient
1 M3R 0.9257
2 ALA ARG 0.9049
3 PCX 0.8859
4 DSD 0.8858
5 MPP 0.8796
6 JM7 0.8775
7 NPG 0.8764
8 AUY 0.8659
9 ZIP 0.8635
10 6Q3 0.8627
11 FUZ 0.8623
12 JM6 0.8604
13 4KJ 0.8602
14 JM5 0.8560
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: 1
This union binding pocket(no: 1) in the query (biounit: 3l02.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1ML4 PAL 25
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: 1
This union binding pocket(no: 4) in the query (biounit: 3l02.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1ML4 PAL 25
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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