Structure of PDB 1m32 Chain C Binding Site BS01

Receptor Information

>1m32 Chain C (length=361)

YLLLTPGPLTTSRTVKEAMLFDSCTWDDDYNIGVVEQIRQQLTALATASE
GYTSVLLQGSGSYAVEAVLGSALGPQDKVLIVSNGAYGARMVEMAGLMGI
AHHAYDCGEVARPDVQAIDAILNADPTISHIAMVHSETTTGMLNPIDEVG
ALAHRYGKTYIVDAMSSFGGIPMDIAALHIDYLISSANKCIQGVPGFAFV
IAREQKLAACKGHSRSLSLDLYAQWRCMEDNHGKWRFTSPTHTVLAFAQA
LKELAKEGGVAARHQRYQQNQRSLVAGMRALGFNTLLDDELHSPIITAFY
SPEDPQYRFSEFYRRLKEQGFVIYPGKVSQSDCFRIGNIGEVYAADITAL
LTAIRTAMYWT

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: 1m32 Chain C Residue 4403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1m32 Degradation Pathway of the Phosphonate Ciliatine: Crystal Structure of 2-Aminoethylphosphonate Transaminase
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): S64 G65 S66 Y91 T142 D167 M169
• Binding residue (residue number reindexed from 1): S60 G61 S62 Y87 T138 D163 M165
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.6.1.37: 2-aminoethylphosphonate--pyruvate transaminase.

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity
• GO:0047304 2-aminoethylphosphonate-pyruvate transaminase activity

Biological Process

• GO:0019700 organic phosphonate catabolic process

External links

• PDB: RCSB:1m32, PDBe:1m32, PDBj:1m32
• PDBsum: 1m32
• PubMed: 12403617
• UniProt: P96060|PHNW_SALTY 2-aminoethylphosphonate--pyruvate transaminase (Gene Name=phnW)