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)...
View in 3D viewer
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 12 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 10 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 (2D)
Ligand no: 1; Ligand: ASP PLP; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP PLP 1 1
2 PLP SER 0.56 0.847458
3 GLU PLP 0.52439 0.866667
4 PLP PMP 0.521739 0.824561
5 PLP 2KZ 0.518987 0.847458
6 PLP CYS 0.518987 0.85
7 PLP 2TL 0.5125 0.833333
8 SEP PLP 0.506173 0.864407
9 PLP 0A0 0.506173 0.83871
10 PLP BH2 0.506173 0.833333
11 LEU PLP 0.5 0.836066
12 PLP 2ML 0.488095 0.809524
13 CAN PLP 0.471264 0.8125
14 TYR PLP 0.460674 0.85
15 PLP ALO 0.452381 0.807018
16 PLP 999 0.447059 0.807018
17 GLY PLP 0.444444 0.888889
18 SER PLP 0.440476 0.824561
19 ACZ PLP 0.431579 0.809524
20 GAB PLP 0.428571 0.833333
21 PLP ABU 0.413793 0.875
22 PMP HSA 0.404255 0.777778
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP PLP; Similar ligands found: 41
No: Ligand Similarity coefficient
1 PPD 0.9414
2 PLS 0.9376
3 KET 0.9367
4 PL6 0.9351
5 3QP 0.9272
6 PGU 0.9238
7 PPE 0.9157
8 PDG 0.9136
9 PY5 0.9133
10 CBA 0.9130
11 PLA 0.9107
12 5PA 0.9101
13 PY6 0.9049
14 TLP 0.9007
15 QLP 0.8996
16 7XF 0.8964
17 ILP 0.8902
18 C6P 0.8900
19 2BO 0.8867
20 PMG 0.8852
21 L7N 0.8789
22 PP3 0.8776
23 2BK 0.8764
24 0JO 0.8762
25 EPC 0.8752
26 PDD 0.8750
27 DCS 0.8749
28 KOU 0.8747
29 PM9 0.8733
30 P1T 0.8717
31 4LM 0.8710
32 LCS 0.8707
33 PLI 0.8696
34 PDA 0.8695
35 IN5 0.8682
36 MPM 0.8629
37 3LM 0.8601
38 PLP MET 0.8596
39 MET PLP 0.8579
40 6DF 0.8570
41 HCP 0.8562
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: 17
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 5VEQ PMP 44.6753
15 5VEQ PMP 44.6753
16 5VEQ PMP 44.6753
17 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 5VEQ PMP 44.6753
15 5VEQ PMP 44.6753
16 5VEQ PMP 44.6753
17 5VEQ PMP 44.6753
18 6L1O PLP 45.974
19 6L1O PMP 45.974
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