Receptor
PDB id Resolution Class Description Source Keywords
1gde 1.8 Å EC: 2.6.1.- CRYSTAL STRUCTURE OF PYROCOCCUS PROTEIN A-1 E-FORM PYROCOCCUS HORIKOSHII AMINOTRANSFERASE PYRIDOXAL ENZYME TEMPERATURE DEPENDENCE OSUBSTRATE RECOGNITION TRANSFERASE
Ref.: TEMPERATURE DEPENDENCE OF THE ENZYME-SUBSTRATE RECO MECHANISM. J.BIOCHEM. V. 129 173 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU PLP A:414;
A:914;
 Valid;
Valid;
 none;
none;
 submit data
375.25 n/a P(=O)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GDE 1.8 Å EC: 2.6.1.- CRYSTAL STRUCTURE OF PYROCOCCUS PROTEIN A-1 E-FORM PYROCOCCUS HORIKOSHII AMINOTRANSFERASE PYRIDOXAL ENZYME TEMPERATURE DEPENDENCE OSUBSTRATE RECOGNITION TRANSFERASE
Ref.: TEMPERATURE DEPENDENCE OF THE ENZYME-SUBSTRATE RECO MECHANISM. J.BIOCHEM. V. 129 173 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1GDE - GLU 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 6 families.
1 1GDE - GLU 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: GLU PLP; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU PLP 1 1
2 PLP CYS 0.757143 0.919355
3 SEP PLP 0.736111 0.934426
4 LEU PLP 0.726027 0.904762
5 PLP SER 0.690141 0.887097
6 TYR PLP 0.683544 0.919355
7 PLP 2TL 0.653333 0.873016
8 PLP BH2 0.644737 0.873016
9 PLP 0A0 0.5625 0.90625
10 PLP 2ML 0.560976 0.876923
11 ASP PLP 0.52439 0.866667
12 PLP HSA 0.522727 0.820895
13 PLP PMP 0.5 0.866667
14 CAN PLP 0.488636 0.9375
15 PLP 2KZ 0.481928 0.857143
16 ACZ PLP 0.447917 0.90625
17 GAB PLP 0.414894 0.84375
18 PLP ALO 0.404494 0.734375
19 PLP 999 0.4 0.734375
20 PLP ABU 0.4 0.793651
Similar Ligands (3D)
Ligand no: 1; Ligand: GLU PLP; Similar ligands found: 8
No: Ligand Similarity coefficient
1 PGU 0.9237
2 PDG 0.9000
3 PL6 0.8772
4 PPE 0.8682
5 PPD 0.8664
6 QLP 0.8659
7 FEJ 0.8596
8 3LM 0.8590
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GDE; Ligand: GLU PLP; Similar sites found with APoc: 10
This union binding pocket(no: 1) in the query (biounit: 1gde.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3BWN PMP 2.05656
2 3BWN PMP 2.05656
3 2X5F PLP 22.6221
4 2X5F PLP 22.6221
5 3CQ5 PMP 31.9783
6 3CQ5 PMP 31.9783
7 5VEQ PMP 46.7866
8 5VEQ PMP 46.7866
9 5VEQ PMP 46.7866
10 5VEQ PMP 46.7866
Pocket No.: 2; Query (leader) PDB : 1GDE; Ligand: GLU PLP; Similar sites found with APoc: 17
This union binding pocket(no: 2) in the query (biounit: 1gde.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3BWN PMP 2.05656
2 3BWN PMP 2.05656
3 2HOX P1T 3.59897
4 2HOX P1T 3.59897
5 2HOX P1T 3.59897
6 2HOX P1T 3.59897
7 2HOX P1T 3.59897
8 2HOX P1T 3.59897
9 2X5F PLP 22.6221
10 2X5F PLP 22.6221
11 3CQ5 PMP 31.9783
12 3CQ5 PMP 31.9783
13 5VEQ PMP 46.7866
14 5VEQ PMP 46.7866
15 5VEQ PMP 46.7866
16 5VEQ PMP 46.7866
17 2X5D PLP 48.329
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