Structure of PDB 2w5t Chain A Binding Site BS02

Receptor Information

>2w5t Chain A (length=424) Species: 1280 (Staphylococcus aureus)

SEDDLTKVLNYTKQRQTEPNPEYYGVAKKKNIIKIHLESFQTFLINKKVN
GKEVTPFLNKLSSGKEQFTYFPNFFHQTGQGKTSDSEFTMDNSLYGLPQG
SAFSLKGDNTYQSLPAILDQKQGYKSDVMHGDYKTFWNRDQVYKHFGIDK
FYDATYYDMSDKNVVNLGLKDKIFFKDSANYQAKMKSPFYSHLITLTNHY
PFTLDEKDATIEKSNTGDATVDGYIQTARYLDEALEEYINDLKKKGLYDN
SVIMIYGDHYGISENHNNAMEKLLGEKITPAKFTDLNRTGFWIKIPGKSG
GINNEYAGQVDVMPTILHLAGIDTKNYLMFGTDLFSKGHNQVVPFRNGDF
ITKDYKYVNGKIYSNKNNELITTQPADFEKNKKQVEKDLEMSDNVLNGDL
FRFYKNPDFKKVNPSKYKYETGPK

Ligand information

• Ligand ID: GP9
• InChI: InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2/t3-/m1/s1
• InChIKey: AWUCVROLDVIAJX-GSVOUGTGSA-L
• SMILES:
  CACTVS 3.352: OC[CH](O)CO[P]([O-])([O-])=O
  CACTVS 3.352: OC[C@@H](O)CO[P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])(=O)OCC(O)CO
  OpenEye OEToolkits 1.6.1: C(C(COP(=O)([O-])[O-])O)O
• Formula: C3 H7 O6 P
• Name: (2R)-2,3-dihydroxypropyl phosphate
• PDB chain: 2w5t Chain A Residue 1644

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2w5t Structure-Based Mechanism of Lipoteichoic Acid Synthesis by Staphylococcus Aureus Ltas.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): E255 K299 T300 H347 D349 W354 R356 H416 H476
• Binding residue (residue number reindexed from 1): E38 K82 T83 H130 D132 W137 R139 H199 H259
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.8.-

External links

• PDB: RCSB:2w5t, PDBe:2w5t, PDBj:2w5t
• PDBsum: 2w5t
• PubMed: 19168632
• UniProt: Q7A1I3|LTAS_STAAW Lipoteichoic acid synthase (Gene Name=ltaS)