Structure of PDB 6wmv Chain A Binding Site BS02

Receptor Information

>6wmv Chain A (length=336) Species: 224325,557599

MRLAYVKNHEIYGEKLLGLTLRERIEKTLQRAGFDVRFFDELSLEEAEDY
LIILEPVLILERDLLLEGRKILVSDGFTVGYFFGGDFRTVFDGNLQSSIE
KYLSLNNLESYEIWAIKLSNDNLKTAEKLLLSSLIRAAFARITLPLARAL
LRIGLTPDAVTIIGTTASVAGALVLFPMGKLFPGACVVWFFVLFDMLDGA
MARLRSGGTRFGAVLDAACDRISDGAVFSGLLWWIAFGMRDRLLVVATLT
CLVTSQVISYIKARAEASGLRGDGGIIERPERLIIVLVGAGVSDFPFIAW
PPALPVAMWVLAVASVITLGQRLHTVWTSPGATDRI

Ligand information

• Ligand ID: TCE
• InChI: InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
• InChIKey: PZBFGYYEXUXCOF-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: OC(=O)CCP(CCC(O)=O)CCC(O)=O
  OpenEye OEToolkits 1.5.0: C(CP(CCC(=O)O)CCC(=O)O)C(=O)O
  ACDLabs 10.04: O=C(O)CCP(CCC(=O)O)CCC(=O)O
• Formula: C9 H15 O6 P
• Name: 3,3',3''-phosphanetriyltripropanoic acid;
  3-[bis(2-carboxyethyl)phosphanyl]propanoic acid
• ChEMBL: CHEMBL171512
• ZINC: ZINC000002517013
• PDB chain: 6wmv Chain A Residue 305

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6wmv Structural and Functional Characterization of Phosphatidylinositol-Phosphate Biosynthesis in Mycobacteria.
• Resolution: 2.142 Å
• Binding residue (original residue number in PDB): A75 G81 T82
• Binding residue (residue number reindexed from 1): A202 G208 T209
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number:
  2.7.8.-

Gene Ontology

Molecular Function

• GO:0016780 phosphotransferase activity, for other substituted phosphate groups

Biological Process

• GO:0008654 phospholipid biosynthetic process

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:6wmv, PDBe:6wmv, PDBj:6wmv
• PDBsum: 6wmv
• PubMed: 32389689
• UniProt: O27985;
  U5WZP7