Structure of PDB 4fl4 Chain J Binding Site BS01

Receptor Information
>4fl4 Chain J (length=66) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMGDVNDDGKVNSTDLTLLKRYVLKAVSTLPSSKAEKNADVNRDGRVNSS
DVTILSRYLIRVIEKL
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 chain4fl4 Chain J Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4fl4 Scaffoldin Conformation and Dynamics Revealed by a Ternary Complex from the Clostridium thermocellum Cellulosome.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D24 N26 D28 K30 N32 D35
Binding residue
(residue number reindexed from 1)		D4 N6 D8 K10 N12 D15
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0000272 polysaccharide catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4fl4, PDBe:4fl4, PDBj:4fl4
PDBsum4fl4
PubMed22707718
UniProtA3DDN1|GUND_ACET2 Endoglucanase D (Gene Name=celD)

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