Structure of PDB 6h5a Chain B Binding Site BS01

Receptor Information

>6h5a Chain B (length=209) Species: 83332 (Mycobacterium tuberculosis H37Rv)

ITTPIARGLLRVGLTPDVVTILGTTASVAGALTLFPMGKLFAGACVVWFF
VLFDMLDGAMARERGGGTRFGAVLDATCDRISDGAVFCGLLWWIAFHMRD
RPLVIATLICLVTSQVISYIKARAEASGLRGDGGFIERPERLIIVLTGAG
VSDFPFVPWPPALSVGMWLLAVASVITCVQRLHTVWTSPGAIDRMAIPGK
GDRENLYFQ

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 6h5a Chain B Residue 302

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): D68 D71 D89
• Binding residue (residue number reindexed from 1): D54 D57 D75
• 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)