Structure of PDB 3kmv Chain D Binding Site BS01

Receptor Information
>3kmv Chain D (length=138) Species: 203119 (Acetivibrio thermocellus ATCC 27405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITKAKFQSYNYPNMYIRHANFDARIDENVTPEMDSQWELVPGLANSGDGY
VSIQSVNYPGYYLRHSNYDLSLEKNDGTSLFAESATFKIVPGLADPSYIS
FQSYNFPTRYIRHYNYLLRLDEIVTELDRQDATFKIIS
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 chain3kmv Chain D Residue 159 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kmv Family 42 carbohydrate-binding modules display multiple arabinoxylan-binding interfaces presenting different ligand affinities.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D29 A30 L77 L125
Binding residue
(residue number reindexed from 1)		D22 A23 L70 L118
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046556 alpha-L-arabinofuranosidase activity
Biological Process
GO:0046373 L-arabinose metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3kmv, PDBe:3kmv, PDBj:3kmv
PDBsum3kmv
PubMed20637315
UniProtA3DBC8

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