Structure of PDB 3ul4 Chain B Binding Site BS02

Receptor Information
>3ul4 Chain B (length=63) Species: 203119 (Acetivibrio thermocellus ATCC 27405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLNGDLNRNGIVNDEDYILLKNYLLRGNKLVIDLNVADVNKDGKVNSTDC
LFLKKYILGLITI
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 chain3ul4 Chain B Residue 67 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ul4 Novel Clostridium thermocellum Type I Cohesin-Dockerin Complexes Reveal a Single Binding Mode.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D7 N9 N11 I13 D18
Binding residue
(residue number reindexed from 1)		D5 N7 N9 I11 D16
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0046872 metal ion binding
Biological Process
GO:0000272 polysaccharide catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3ul4, PDBe:3ul4, PDBj:3ul4
PDBsum3ul4
PubMed23118225
UniProtL7MTK2

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