-->
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: 26
This union binding pocket(no: 1) in the query (biounit: 3l02.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4CQK PIO None
2 6I6R H62 1.39276
3 4GVF NDG 1.7192
4 4GVF NAG 1.7192
5 4AG5 ADP 2.22841
6 4YJK URA 2.38095
7 1B0U ATP 2.67176
8 4NZ6 DGL 3.34262
9 1KW6 BPY 5.82192
10 5GQX GLC GLC GLC GLC 6.12813
11 1SGJ OAA 7.74648
12 3QDK QDK 7.79944
13 1T0S BML 8.35655
14 3VRV YSD 9.5941
15 6HL7 CP 19.8276
16 1EKX PAL 21.2219
17 1D09 PAL 21.2903
18 1OXV ANP 22.9462
19 1ML4 PAL 25
20 4A8H PUW 41.4085
21 1OTH PAO 41.7445
22 5G1N PAL 42.0382
23 4BJH PAL 42.236
24 4A8T PAO 43.3628
25 3R7F CP 44.4079
26 1DUV PSQ 49.5495
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: 23
This union binding pocket(no: 4) in the query (biounit: 3l02.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4CQK PIO None
2 4GVF NDG 1.7192
3 4GVF NAG 1.7192
4 4AG5 ADP 2.22841
5 4YJK URA 2.38095
6 1B0U ATP 2.67176
7 4NZ6 DGL 3.34262
8 1KW6 BPY 5.82192
9 5GQX GLC GLC GLC GLC 6.12813
10 3QDK QDK 7.79944
11 1T0S BML 8.35655
12 6HL7 CP 19.8276
13 1EKX PAL 21.2219
14 1D09 PAL 21.2903
15 1OXV ANP 22.9462
16 1ML4 PAL 25
17 4A8H PUW 41.4085
18 1OTH PAO 41.7445
19 5G1N PAL 42.0382
20 4BJH PAL 42.236
21 4A8T PAO 43.3628
22 3R7F CP 44.4079
23 1DUV PSQ 49.5495
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
APoc FAQ
Feedback