Structure of PDB 2yp6 Chain C Binding Site BS01

Receptor Information
>2yp6 Chain C (length=143) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IAVGKDAPDFTLQSMDGKEVKLSDFKGKKVYLKFWASWCGPCKKSMPELM
ELAAKPDRDFEILTVIAPGIQGEKTVEQFPQWFQEQGYKDIPVLYDTKAT
TFQAYQIRSIPTEYLIDSQGKIGKIQFGAISNADAEAAFKEMN
Ligand information
Ligand IDC6W
InChIInChI=1S/C14H24NO4P/c1-15(2,3)11-13-19-20(16,17)18-12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3
InChIKeyNFUBQNQOSNBRKK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[N+](C)(C)CCO[P]([O-])(=O)OCCCc1ccccc1
OpenEye OEToolkits 1.9.2C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1
ACDLabs 12.01[O-]P(=O)(OCC[N+](C)(C)C)OCCCc1ccccc1
FormulaC14 H24 N O4 P
Name3-Cyclohexyl-1-Propylphosphocholine
ChEMBL
DrugBank
ZINC
PDB chain2yp6 Chain C Residue 1186 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2yp6 Molecular Architecture of Streptococcus Pneumoniae Surface Thioredoxin-Fold Lipoproteins Crucial for Extracellular Oxidative Stress Resistance and Maintenance of Virulence.
Resolution1.767 Å
Binding residue
(original residue number in PDB)		W80 Q113 F144
Binding residue
(residue number reindexed from 1)		W38 Q71 F102
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:2yp6, PDBe:2yp6, PDBj:2yp6
PDBsum2yp6
PubMed24136784
UniProtA0A0H2UPR5

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