Structure of PDB 6h5a Chain A Binding Site BS04

Receptor Information

>6h5a Chain A (length=207) Species: 83332 (Mycobacterium tuberculosis H37Rv)

LPFLSRAAFARITTPIARGLLRVGLTPDVVTILGTTASVAGALTLFPMGK
LFAGACVVWFFVLFDMLDGAMARERGGGTRFGAVLDATCDRISDGAVFCG
LLWWIAFHMRDRPLVIATLICLVTSQVISYIKARAEASGLRGDGGFIERP
ERLIIVLTGAGVSDFPFVPWPPALSVGMWLLAVASVITCVQRLHTVWTSP
GAIDRMA

Ligand information

• Ligand ID: FLC
• InChI: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
• InChIKey: KRKNYBCHXYNGOX-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
  OpenEye OEToolkits 1.5.0: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
  ACDLabs 10.04: O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
• Formula: C6 H5 O7
• Name: CITRATE ANION
• PDB chain: 6h5a Chain A Residue 306

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6h5a Structure ofMycobacterium tuberculosisphosphatidylinositol phosphate synthase reveals mechanism of substrate binding and metal catalysis.
• Resolution: 1.88 Å
• Binding residue (original residue number in PDB): S132 K135
• Binding residue (residue number reindexed from 1): S129 K132
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.8.-

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003881 CDP-diacylglycerol-inositol 3-phosphatidyltransferase activity
• GO:0016740 transferase activity
• GO:0016780 phosphotransferase activity, for other substituted phosphate groups
• GO:0046872 metal ion binding

Biological Process

• GO:0008654 phospholipid biosynthetic process
• GO:0046474 glycerophospholipid biosynthetic process

Cellular Component

• GO:0005886 plasma membrane
• GO:0009274 peptidoglycan-based cell wall
• GO:0016020 membrane

External links

• PDB: RCSB:6h5a, PDBe:6h5a, PDBj:6h5a
• PDBsum: 6h5a
• PubMed: 31098408
• UniProt: P9WPG7|PIPS_MYCTU Phosphatidylinositol phosphate synthase (Gene Name=pgsA1)