Receptor
PDB id Resolution Class Description Source Keywords
1GCK 2.5 Å EC: 2.6.1.1 THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE DOUBLE MUTAN COMPLEXED WITH ASPARTATE THERMUS THERMOPHILUS AMINOTRANSFERASE DUAL-SUBSTRATE ENZYME PYRIDOXAL ENZYME TRANSFERASE
Ref.: SUBSTRATE RECOGNITION MECHANISM OF THERMOPHILIC DUAL-SUBSTRATE ENZYME. J.BIOCHEM. V. 130 89 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP PLP A:414;
B:914;
Valid;
Valid;
none;
none;
submit data
359.207 n/a P(=O)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GCK 2.5 Å EC: 2.6.1.1 THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE DOUBLE MUTAN COMPLEXED WITH ASPARTATE THERMUS THERMOPHILUS AMINOTRANSFERASE DUAL-SUBSTRATE ENZYME PYRIDOXAL ENZYME TRANSFERASE
Ref.: SUBSTRATE RECOGNITION MECHANISM OF THERMOPHILIC DUAL-SUBSTRATE ENZYME. J.BIOCHEM. V. 130 89 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1GCK - ASP PLP n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1GCK - ASP PLP n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GDE - GLU PLP n/a n/a
2 1V2F - HCI C9 H10 O2 c1ccc(cc1)....
3 1U08 - PLP C8 H10 N O6 P Cc1c(c(c(c....
4 1GCK - ASP PLP n/a n/a
5 1XI9 - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP PLP; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP PLP 1 1
2 GLU PLP 0.52439 0.866667
3 PLP 2KZ 0.518987 0.847458
4 PLP CYS 0.518987 0.85
5 PLP 2TL 0.5125 0.833333
6 PLP BH2 0.506173 0.833333
7 PLP SEP 0.506173 0.864407
8 SEP PLP 0.506173 0.864407
9 LEU PLP 0.5 0.836066
10 PLP PHE 0.477273 0.944444
11 PLP MET 0.476744 0.772727
12 CAN PLP 0.471264 0.8125
13 PLP SUO 0.457447 0.8
14 PLP 999 0.447059 0.807018
15 TZA PLP 0.431579 0.809524
16 ACZ PLP 0.431579 0.809524
17 GAB PLP 0.428571 0.833333
18 GBC PLP 0.428571 0.833333
19 MET PLP 0.411111 0.770492
20 PMP HSA 0.404255 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GCK; Ligand: ASP PLP; Similar sites found with APoc: 19
This union binding pocket(no: 1) in the query (biounit: 1gck.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2HOX P1T 9.09091
2 2HOX P1T 9.09091
3 2HOX P1T 9.09091
4 2HOX P1T 9.09091
5 2HOX P1T 9.09091
6 2HOX P1T 9.09091
7 2HOX P1T 9.09091
8 2HOX P1T 9.09091
9 3BWN PMP 15.8442
10 3BWN PMP 15.8442
11 3BWN PMP 15.8442
12 2X5F PLP 38.4416
13 2X5F PLP 38.4416
14 2R2N PMP 43.6364
15 2R2N PMP 43.6364
16 5VEQ PMP 44.6753
17 5VEQ PMP 44.6753
18 5VEQ PMP 44.6753
19 5VEQ PMP 44.6753
Pocket No.: 2; Query (leader) PDB : 1GCK; Ligand: ASP PLP; Similar sites found with APoc: 19
This union binding pocket(no: 2) in the query (biounit: 1gck.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2HOX P1T 9.09091
2 2HOX P1T 9.09091
3 2HOX P1T 9.09091
4 2HOX P1T 9.09091
5 2HOX P1T 9.09091
6 2HOX P1T 9.09091
7 2HOX P1T 9.09091
8 2HOX P1T 9.09091
9 3BWN PMP 15.8442
10 3BWN PMP 15.8442
11 2X5F PLP 38.4416
12 2X5F PLP 38.4416
13 4FL0 PLP 41.2987
14 2R2N PMP 43.6364
15 2R2N PMP 43.6364
16 5VEQ PMP 44.6753
17 5VEQ PMP 44.6753
18 5VEQ PMP 44.6753
19 5VEQ PMP 44.6753
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