Structure of PDB 8ayj Chain A Binding Site BS03

Receptor Information

>8ayj Chain A (length=276) Species: 81468 (Aminobacterium colombiense)

HMNLCYIDGKFLPLEEAKLPVTDLIIQRGVGVFETISTHSRRPLMLTPHL
KRLEGSATASSIVMPATLDEMARIIREGIKKMGCETMVRPYITGGDSFGK
DHLFSSSRYFVIFEEIRKPDPILYEKGVALHPINAERYLPSTKSINYMLS
FTGQRDSKGAYEILYCPEGEIVEGSHSTFFLIKNGHLITAPTSRALSGTT
RQIVLELARRGNIQVEERCPLLTELPEAEEAFITGTVKELLPVVRIGDQI
IGNGVPGKLTKHLHQVYLSSIVEWLE

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: 8ayj Chain A Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ayj In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity.
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): R51 R136 Y146 E172 S174 H175 S176 L195 G197 T198 T199 T235
• Binding residue (residue number reindexed from 1): R52 R137 Y147 E173 S175 H176 S177 L196 G198 T199 T200 T236
• 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:8ayj, PDBe:8ayj, PDBj:8ayj
• PDBsum: 8ayj
• PubMed: 37548495
• UniProt: D5EHC5