Structure of PDB 8ahr Chain A Binding Site BS01

Receptor Information

>8ahr Chain A (length=271) Species: 81468 (Aminobacterium colombiense)

GHMNLCYIDGKFLPLEEAKLPVTDLIIQRGVGVFETISTHSRRPLMLTPH
LKRLEGSATASSIVMPATLDEMARIIREGIKKMGCETMVRPYITGGDSFG
KDHLFSSSRYFVIFEEIRKPDPILYEKGVALHPINAERYLPSTKSINYML
SFTGAYEILYCPEGEIVEGSHSTFFLIKNGHLITAPTSRALSGTTRQIVL
ELARRGNIQVEERCPLLTELPEAEEAFITGTVKELLPVVRIGDQIIGNGV
PGKLTKHLHQVYLSSIVEWLE

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: 8ahr Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ahr To the Understanding of Catalysis by D-Amino Acid Transaminases: A Case Study of the Enzyme from Aminobacterium colombiense.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): R51 R136 K142 E172 H175 S176 L195 T198 T199 T235
• Binding residue (residue number reindexed from 1): R53 R138 K144 E168 H171 S172 L191 T194 T195 T231
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008483 transaminase activity

Biological Process

• GO:0019752 carboxylic acid metabolic process
• GO:0046394 carboxylic acid biosynthetic process

External links

• PDB: RCSB:8ahr, PDBe:8ahr, PDBj:8ahr
• PDBsum: 8ahr
• PubMed: 36903355
• UniProt: D5EHC5