Structure of PDB 2w5s Chain A Binding Site BS01

Receptor Information
>2w5s Chain A (length=424) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEDDLTKVLNYTKQRQTEPNPEYYGVAKKKNIIKIHLESFQTFLINKKVN
GKEVTPFLNKLSSGKEQFTYFPNFFHQTGQGKTSDSEFTMDNSLYGLPQG
SAFSLKGDNTYQSLPAILDQKQGYKSDVMHGDYKTFWNRDQVYKHFGIDK
FYDATYYDMSDKNVVNLGLKDKIFFKDSANYQAKMKSPFYSHLITLTNHY
PFTLDEKDATIEKSNTGDATVDGYIQTARYLDEALEEYINDLKKKGLYDN
SVIMIYGDHYGISENHNNAMEKLLGEKITPAKFTDLNRTGFWIKIPGKSG
GINNEYAGQVDVMPTILHLAGIDTKNYLMFGTDLFSKGHNQVVPFRNGDF
ITKDYKYVNGKIYSNKNNELITTQPADFEKNKKQVEKDLEMSDNVLNGDL
FRFYKNPDFKKVNPSKYKYETGPK
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain2w5s Chain A Residue 1642 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2w5s Structure-Based Mechanism of Lipoteichoic Acid Synthesis by Staphylococcus Aureus Ltas.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E255 T300 D475 H476
Binding residue
(residue number reindexed from 1)		E38 T83 D258 H259
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.8.-
External links
PDB RCSB:2w5s, PDBe:2w5s, PDBj:2w5s
PDBsum2w5s
PubMed19168632
UniProtQ7A1I3|LTAS_STAAW Lipoteichoic acid synthase (Gene Name=ltaS)

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