Structure of PDB 6h5a Chain B Binding Site BS03

Receptor Information
>6h5a Chain B (length=209) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITTPIARGLLRVGLTPDVVTILGTTASVAGALTLFPMGKLFAGACVVWFF
VLFDMLDGAMARERGGGTRFGAVLDATCDRISDGAVFCGLLWWIAFHMRD
RPLVIATLICLVTSQVISYIKARAEASGLRGDGGFIERPERLIIVLTGAG
VSDFPFVPWPPALSVGMWLLAVASVITCVQRLHTVWTSPGAIDRMAIPGK
GDRENLYFQ
Ligand information
Ligand IDFLC
InChIInChI=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
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
ACDLabs 10.04O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
FormulaC6 H5 O7
NameCITRATE ANION
ChEMBL
DrugBank
ZINC
PDB chain6h5a Chain B Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6h5a Structure ofMycobacterium tuberculosisphosphatidylinositol phosphate synthase reveals mechanism of substrate binding and metal catalysis.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		S132 K135 E151 R152 R155 R195
Binding residue
(residue number reindexed from 1)		S118 K121 E137 R138 R141 R181
Annotation score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6h5a, PDBe:6h5a, PDBj:6h5a
PDBsum6h5a
PubMed31098408
UniProtP9WPG7|PIPS_MYCTU Phosphatidylinositol phosphate synthase (Gene Name=pgsA1)

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