Structure of PDB 1h8g Chain B Binding Site BS01

Receptor Information
>1h8g Chain B (length=94) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DGNWYWFDNSGEMATGWKKIADKWYYFNEEGAMKTGWVKYKDTWYYLDAK
EGAMVSNAFIQSADGTGWYYLKPDGTLADRPEFTVEPDGLITVK
Ligand information
Ligand IDCHT
InChIInChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKeyOEYIOHPDSNJKLS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[N+](C)(C)CCO
ACDLabs 10.04OCC[N+](C)(C)C
FormulaC5 H14 N O
NameCHOLINE ION
ChEMBLCHEMBL920
DrugBankDB00122
ZINCZINC000003079337
PDB chain1h8g Chain B Residue 404 [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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PDB1h8g A Novel Solenoid Fold in the Cell Wall Anchoring Domain of the Pneumococcal Virulence Factor Lyta
Resolution2.4 Å
Binding residue
(original residue number in PDB)		W261 W268 Y293
Binding residue
(residue number reindexed from 1)		W37 W44 Y69
Annotation score4
Enzymatic activity
Enzyme Commision number 3.5.1.28: N-acetylmuramoyl-L-alanine amidase.
External links
PDB RCSB:1h8g, PDBe:1h8g, PDBj:1h8g
PDBsum1h8g
PubMed11694890
UniProtP06653|ALYS_STRPN Autolysin (Gene Name=lytA)

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