Receptor
PDB id Resolution Class Description Source Keywords
1GBN 2.3 Å EC: 2.6.1.13 HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH THE NEUROTOX GABACULINE HOMO SAPIENS TRANSFERASE ORNITHINE AMINOTRANSFERASE UREA CYCLE PYRIDOXPHOSPHATE
Ref.: HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH L-C AND GABACULINE: STRUCTURAL BASIS FOR SUBSTRATE RECO STRUCTURE V. 5 1067 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAB PLP A:440;
Valid;
none;
submit data
365.258 n/a P(=O)...
GBC PLP B:440;
C:440;
Valid;
Valid;
none;
none;
submit data
365.258 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OAT 1.95 Å EC: 2.6.1.13 ORNITHINE AMINOTRANSFERASE COMPLEXED WITH 5-FLUOROMETHYLORNI HOMO SAPIENS AMINOTRANSFERASE 5-FLUOROMETHYLORNITHINE PLP-DEPENDENT ENZPYRIDOXAL PHOSPHATE
Ref.: CRYSTAL STRUCTURE OF HUMAN ORNITHINE AMINOTRANSFERA COMPLEXED WITH THE HIGHLY SPECIFIC AND POTENT INHIB 5-FLUOROMETHYLORNITHINE. J.MOL.BIOL. V. 285 297 1999
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GBN - GBC PLP n/a n/a
2 2CAN - CAN PLP n/a n/a
3 2OAT - PFM C14 H19 N2 O8 P Cc1c(c(c(c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GBN - GBC PLP n/a n/a
2 2CAN - CAN PLP n/a n/a
3 2OAT - PFM C14 H19 N2 O8 P Cc1c(c(c(c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GBN - GBC PLP n/a n/a
2 2CAN - CAN PLP n/a n/a
3 2OAT - PFM C14 H19 N2 O8 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAB PLP; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 GAB PLP 1 1
2 GBC PLP 1 1
3 PXG 0.670732 0.95
4 TZA PLP 0.548387 0.935484
5 ACZ PLP 0.548387 0.935484
6 PLP 2KZ 0.52381 0.885246
7 PSZ 0.488889 0.848485
8 CAN PLP 0.478261 0.794118
9 PLP CYS 0.454545 0.857143
10 PLP 2TL 0.449438 0.870968
11 SEP PLP 0.444444 0.870968
12 PLP SEP 0.444444 0.870968
13 PLP BH2 0.428571 0.870968
14 ASP PLP 0.428571 0.833333
15 RW2 0.427083 0.794118
16 LEU PLP 0.423913 0.84375
17 PLG 0.418605 0.828125
18 GLU PLP 0.414894 0.84375
19 PMH 0.411111 0.716216
20 PPD 0.406593 0.828125
21 C6P 0.406593 0.828125
22 PLP MET 0.40625 0.782609
23 PP3 0.404494 0.84127
24 PDD 0.404494 0.84127
25 P1T 0.404494 0.791045
26 PDA 0.404494 0.84127
27 PLA 0.402174 0.779412
28 IK2 0.4 0.791045
Ligand no: 2; Ligand: GBC PLP; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 GAB PLP 1 1
2 GBC PLP 1 1
3 PXG 0.670732 0.95
4 TZA PLP 0.548387 0.935484
5 ACZ PLP 0.548387 0.935484
6 PLP 2KZ 0.52381 0.885246
7 PSZ 0.488889 0.848485
8 CAN PLP 0.478261 0.794118
9 PLP CYS 0.454545 0.857143
10 PLP 2TL 0.449438 0.870968
11 SEP PLP 0.444444 0.870968
12 PLP SEP 0.444444 0.870968
13 PLP BH2 0.428571 0.870968
14 ASP PLP 0.428571 0.833333
15 RW2 0.427083 0.794118
16 LEU PLP 0.423913 0.84375
17 PLG 0.418605 0.828125
18 GLU PLP 0.414894 0.84375
19 PMH 0.411111 0.716216
20 PPD 0.406593 0.828125
21 C6P 0.406593 0.828125
22 PLP MET 0.40625 0.782609
23 PP3 0.404494 0.84127
24 PDD 0.404494 0.84127
25 P1T 0.404494 0.791045
26 PDA 0.404494 0.84127
27 PLA 0.402174 0.779412
28 IK2 0.4 0.791045
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 2oat.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5DDW 5B6 23.2346
2 4ADC PLP 46.3054
3 4UOX PLP PUT 47.1526
4 4UOX PUT 47.1526
5 1SFF IK2 49.2958
Pocket No.: 2; Query (leader) PDB : 2OAT; Ligand: PFM; 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: 2oat.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2OAT; Ligand: PFM; 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: 2oat.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2OAT; Ligand: PFM; 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: 2oat.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2OAT; Ligand: PFM; 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: 2oat.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2OAT; Ligand: PFM; 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: 2oat.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2oat.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2oat.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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