Structure of PDB 8pnw Chain A Binding Site BS01

Receptor Information

>8pnw Chain A (length=278) Species: 138336 (Blastococcus saxobsidens)

QRSVAVWRDGAAVTVPAHQPVVTAFDLGLGRGDGIFESVAVVAGRTPHLA
AHLTRLTRSAALLGLPAPGDQAWMEMVAAVLADWPAALEGVCRLFLTRGL
GDGTPPTALALLAPVPADTLRQRAEGISVATLGLGVPADFRAGAPWLLGG
AKTLSYAVNMAAQRHAHDLGADDVVFTSLEGRLLEGPTSTVVWAAGGTLH
TPPVETGILPGTTQARLFTAAAADGWPTSVTPGTVDDLHAADAVWLLSGV
RGAAVVHTVDGVRRGDGDLSRRVRELLA

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: 8pnw Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8pnw Structural determinants of dual substrate recognition in the transaminase from Blastococcus saxobsidens specific to D-amino acids and R-amines
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): R58 K155 Y159 E188 P190 T191 S192 L212 T215 T216 G252
• Binding residue (residue number reindexed from 1): R55 K152 Y156 E185 P187 T188 S189 L209 T212 T213 G249
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008483 transaminase activity
• GO:0016829 lyase activity

Biological Process

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

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:8pnw, PDBe:8pnw, PDBj:8pnw
• PDBsum: 8pnw
• PubMed: 38003383
• UniProt: H6RQF3