Structure of PDB 6wmv Chain A Binding Site BS01

Receptor Information

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

MRLAYVKNHEIYGEKLLGLTLRERIEKTLQRAGFDVRFFDELSLEEAEDY
LIILEPVLILERDLLLEGRKILVSDGFTVGYFFGGDFRTVFDGNLQSSIE
KYLSLNNLESYEIWAIKLSNDNLKTAEKLLLSSLIRAAFARITLPLARAL
LRIGLTPDAVTIIGTTASVAGALVLFPMGKLFPGACVVWFFVLFDMLDGA
MARLRSGGTRFGAVLDAACDRISDGAVFSGLLWWIAFGMRDRLLVVATLT
CLVTSQVISYIKARAEASGLRGDGGIIERPERLIIVLVGAGVSDFPFIAW
PPALPVAMWVLAVASVITLGQRLHTVWTSPGATDRI

Ligand information

• Ligand ID: LIP
• InChI: InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m0/s1
• InChIKey: INAPMGSXUVUWAF-PTQMNWPWSA-L
• SMILES:
  OpenEye OEToolkits 1.7.6: [C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O
  CACTVS 3.370: O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[P]([O-])([O-])=O)[C@@H](O)[C@H]1O
  ACDLabs 12.01: O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O
  OpenEye OEToolkits 1.7.6: C1(C(C(C(C(C1O)O)OP(=O)([O-])[O-])O)O)O
  CACTVS 3.370: O[CH]1[CH](O)[CH](O)[CH](O[P]([O-])([O-])=O)[CH](O)[CH]1O
• Formula: C6 H11 O9 P
• Name: L-MYO-INOSITOL-1-PHOSPHATE
• DrugBank: DB03542
• PDB chain: 6wmv Chain A Residue 301

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): S132 K135 E151 R152
• Binding residue (residue number reindexed from 1): S259 K262 E278 R279
• 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