Structure of PDB 4iu3 Chain B Binding Site BS02

Receptor Information
>4iu3 Chain B (length=236) Species: 1265 (Ruminococcus flavefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTVTSAVKTQYVEIESVDGFYFNTEDKFDTAQIKKAVLHTVYNEGYTGDD
GVAVVLREYESEPVDITAELTFGDATPANTYKAVENKFDYEIPVYYNNAT
LKDAEGNDATVTVYIGLKGDTDLNNIVDGRDATATLTYYAATSTDGKDAT
TVALSPSTLVGGNPESVYDDFSAFLSDVKVDAGKELTRFAKKAERLIDGR
DASSILTFYTKSSVDQYKDMAANEPNKLWDIVTGDA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4iu3 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4iu3 Atypical Cohesin-Dockerin Complex Responsible for Cell Surface Attachment of Cellulosomal Components: BINDING FIDELITY, PROMISCUITY, AND STRUCTURAL BUTTRESSES.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		D181 K183 L200 D205
Binding residue
(residue number reindexed from 1)		D177 K179 L196 D201
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0000272 polysaccharide catabolic process

View graph for
Biological Process
External links
PDB RCSB:4iu3, PDBe:4iu3, PDBj:4iu3
PDBsum4iu3
PubMed23580648
UniProtA0AEF5

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