Structure of PDB 1qxa Chain A Binding Site BS02

Receptor Information
>1qxa Chain A (length=214) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDKQERANYEKLQQKFQMLMSKHQAHVRPQFESLEKINKDIVGWIKLSGT
SLNYPVLQGKTNHDYLNLDFEREHRRKGSIFMDFRNELKNLNHNTILYGH
HVGDNTMFDVLEDYLKQSFYEKHKIIEFDNKYGKYQLQVFSAYKTTTKDN
YIRTDFENDQDYQQFLDETKRKSVINSDVNVTVKDRIMTLSTCEDAYSET
TKRIVVVAKIIKVS
Ligand information
Ligand IDETM
InChIInChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1
InChIKeyVFUGTBZQGUVGEX-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04SCC[N+](C)(C)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[N+](C)(C)CCS
FormulaC5 H14 N S
Name2-(TRIMETHYLAMMONIUM)ETHYL THIOL
ChEMBLCHEMBL136145
DrugBankDB01803
ZINCZINC000005299036
PDB chain1qxa Chain A Residue 248 [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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PDB1qxa The structure of sortase B, a cysteine transpeptidase that tethers surface protein to the Staphylococcus aureus cell wall
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N92 C223
Binding residue
(residue number reindexed from 1)		N62 C193
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.22.71: sortase B.
External links
PDB RCSB:1qxa, PDBe:1qxa, PDBj:1qxa
PDBsum1qxa
PubMed14725770
UniProtQ2FZE3|SRTB_STAA8 Sortase B (Gene Name=srtB)

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