Structure of PDB 3kmv Chain C Binding Site BS01

Receptor Information
>3kmv Chain C (length=137) Species: 203119 (Acetivibrio thermocellus ATCC 27405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKAKFQSYNYPNMYIRHANFDARIDENVTPEMDSQWELVPGLANSGDGYV
SIQSVNYPGYYLRHSNYDLSLEKNDGTSLFAESATFKIVPGLADPSYISF
QSYNFPTRYIRHYNYLLRLDEIVTELDRQDATFKIIS
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 C Residue 163 [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 D76 L77 L125
Binding residue
(residue number reindexed from 1)		D21 A22 D68 L69 L117
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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