Structure of PDB 2wnw Chain B Binding Site BS02

Receptor Information
>2wnw Chain B (length=445) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKGRLISSDPYRQQFLVERAVSFSHRQRDCSELISVLPRHALQQIDGFGG
SFTEGAGVVFNSMSEKTKAQFLSLYFSAQEHNYTLARMPIQSCDFSLGNY
AYVDSSADLQQGRLSFSRDEAHLIPLISGALRLNPHMKLMASPWSPPAFM
KTNNDMNGGGKLRRECYADWADIIINYLLEYRRHGINVQALSVQNEPVAV
KTWDSCLYSVEEETAFAVQYLRPRLARQGMDEMEIYIWDHDKDGLVDWAE
LAFADEANYKGINGLAFHWYTGDHFSQIQYLAQCLPDKKLLFSEGCVPME
SDAGSQIRHWHTYLHDMIGNFKSGCSGFIDWNLLLNSEGGPNHQGNLCEA
PIQYDAQNDVLRRNHSWYGIGHFCRYVRPGARVMLSSSYDNLLEEVGFVN
PDGERVLVVYNRDVQERRCRVLDGDKEIALTLPPSGASTLLWRQE
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain2wnw Chain B Residue 1448 [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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PDB2wnw Crystal Structure of the Salmonella Enterica Serovar Typhimurium Virulence Factor Srfj, a Glycoside Hydrolase Family Enzyme.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D94 W144 E196 E294 W331
Binding residue
(residue number reindexed from 1)		D94 W144 E196 E294 W331
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E196 E294 C296 N320
Catalytic site (residue number reindexed from 1) E196 E294 C296 N320
Enzyme Commision number 3.2.1.75: glucan endo-1,6-beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004348 glucosylceramidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046557 glucan endo-1,6-beta-glucosidase activity
Biological Process
GO:0006665 sphingolipid metabolic process
GO:0006680 glucosylceramide catabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2wnw, PDBe:2wnw, PDBj:2wnw
PDBsum2wnw
PubMed19717598
UniProtQ9KIJ7

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