Structure of PDB 1vp4 Chain A Binding Site BS01

Receptor Information

>1vp4 Chain A (length=420) Species: 243274 (Thermotoga maritima MSB8)

IHHHHHHMVVNLEGKISKIGQNMKSSIIREILKFAADKDAISFGGGVPDP
ETFPRKELAEIAKEIIEKEYHYTLQYSTTEGDPVLKQQILKLLERMYGIT
GLDEDNLIFTVGSQQALDLIGKLFLDDESYCVLDDPAYLGAINAFRQYLA
NFVVVPLEDDGMDLNVLERKLSEFDKNGKIKQVKFIYVVSNFHNPAGVTT
SLEKRKALVEIAEKYDLFIVEDDPYGALRYEGETVDPIFKIGGPERVVLL
NTFSKVLAPGLRIGMVAGSKEFIRKIVQAKQSADLCSPAITHRLAARYLE
RYDLLEQLKPTIELYRRKRTVMLNALEEYFSDIPGVKWVKSEGGLFIWLT
LPEGFDTWEMFEYAKRKKVFYVPGRVFKVYDEPSPSMRLSFCLPPDEKIV
EGIKRLREVVLEYGKEKHLL

Ligand information

• Ligand ID: PLP
• InChI: InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
• InChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
  OpenEye OEToolkits 1.5.0: Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
  ACDLabs 10.04: O=P(O)(O)OCc1cnc(c(O)c1C=O)C
• Formula: C8 H10 N O6 P
• Name: PYRIDOXAL-5'-PHOSPHATE;
  VITAMIN B6 Phosphate
• ChEMBL: CHEMBL82202
• DrugBank: DB00114
• ZINC: ZINC000001532514
• PDB chain: 1vp4 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1vp4 Crystal structure of Aminotransferase, putative (TM1131) from Thermotoga maritima at 1.82 A resolution
• Resolution: 1.82 Å
• Binding residue (original residue number in PDB): G105 S106 Q107 Y131 N187 D215 P217 Y218 T245 S247 K248 R255
• Binding residue (residue number reindexed from 1): G112 S113 Q114 Y138 N194 D222 P224 Y225 T252 S254 K255 R262
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0009058 biosynthetic process
• GO:1901605 alpha-amino acid metabolic process

External links

• PDB: RCSB:1vp4, PDBe:1vp4, PDBj:1vp4
• PDBsum: 1vp4
• UniProt: Q9X0L5