Structure of PDB 1v72 Chain A Binding Site BS02

Receptor Information

>1v72 Chain A (length=345) Species: 303 (Pseudomonas putida)

RPPALGFSSDNIAGASPEVAQALVKHSSGQAGPYGTDELTAQVKRKFCEI
FERDVEVFLVPTGTAANALCLSAMTPPWGNIYCHPASHINNDECGAPEFF
SNGAKLMTVDGPAAKLDIVRLRERTREKVGDVHTTQPACVSITQATEVGS
IYTLDEIEAIGDVCKSSSLGLHMDGSRFANALVSLGCSPAEMTWKAGVDA
LSFGATKNGVLAAEAIVLFNTSLATEMSYRRKRAGHLSSKMRFLSAQIDA
YLTDDLWLRNARKANAAAQRLAQGLEGLGGVEVLGGTEANILFCRLDSAM
IDALLKAGFGFYHDRWGPNVVRFVTSFATTAEDVDHLLNQVRLAA

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: 1v72 Chain A Residue 513

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1v72 Crystal Structure of Phenylserine Aldolase from Pseudomonas Putida
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): G68 T69 H93 E152 D179 S181 R182 K212
• Binding residue (residue number reindexed from 1): G63 T64 H88 E147 D174 S176 R177 K207
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.1.2.48: low-specificity L-threonine aldolase.

Gene Ontology

Molecular Function

• GO:0004793 threonine aldolase activity
• GO:0008732 L-allo-threonine aldolase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006520 amino acid metabolic process
• GO:0006567 threonine catabolic process

External links

• PDB: RCSB:1v72, PDBe:1v72, PDBj:1v72
• PDBsum: 1v72
• UniProt: Q59IT3