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.(TOKYO) 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.(TOKYO) 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 6 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 5 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
Ligand no: 1; Ligand: GLU PLP; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU PLP 1 1
2 PLP MET 0.780822 0.893939
3 PLP CYS 0.757143 0.919355
4 PLP SEP 0.736111 0.934426
5 SEP PLP 0.736111 0.934426
6 LEU PLP 0.726027 0.904762
7 PLP 2TL 0.653333 0.873016
8 PLP BH2 0.644737 0.873016
9 PLP SUO 0.555556 0.923077
10 ASP PLP 0.52439 0.866667
11 CAN PLP 0.488636 0.9375
12 PLP 2KZ 0.481928 0.857143
13 TZA PLP 0.447917 0.90625
14 ACZ PLP 0.447917 0.90625
15 GAB PLP 0.414894 0.84375
16 GBC PLP 0.414894 0.84375
17 PLP 999 0.4 0.734375
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: 4
This union binding pocket(no: 1) in the query (biounit: 1gde.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2X5F PLP 22.6221
2 3CQ5 PMP 31.9783
3 5VEQ PMP 46.7866
4 2R2N PMP 46.7866
Pocket No.: 2; Query (leader) PDB : 1GDE; Ligand: GLU PLP; 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: 1gde.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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