Structure of PDB 3c7h Chain A Binding Site BS03

Receptor Information
>3c7h Chain A (length=487) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATSTTIAKHIGNSNPLIDHHLGADPVALTYNGRVYIYMSSDDYEYNSNGT
IKDNSFANLNRVFVISSADMVNWTDHGAIPVAGANGANGGRGIAKWAGAS
WAPSIAVKKINGKDKFFLYFANSGGGIGVLTADSPIGPWTDPIGKPLVTP
STPGMSGVVWLFDPAVFVDDDGTGYLYAGGGVPGVSNPTQGQWANPKTAR
VIKLGPDMTSVVGSASTIDAPFMFEDSGLHKYNGTYYYSYCINFGGTHPA
DKPPGEIGYMTSSSPMGPFTYRGHFLKNPGAFFGGGGNNHHAVFNFKNEW
YVVYHAQTVSSALFGAGKGYRSPHINKLVHNADGSIQEVAANYAGVTQIS
NLNPYNRVEAETFAWNGRILTEKSTAPGGPVNNQHVTSIQNGDWIAVGNA
DFGAGGARSFKANVASTLGGKIEVRLDSADGKLVGTLNVPSTGGAQTWRE
IETAVSGATGVHKVFFVFTGTGTGNLFNFDYWQFTQR
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 chain3c7h Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3c7h Structural analysis of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase in complex with xylotetraose reveals a different binding mechanism compared with other members of the same family.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E359 E361 N383 Q384 D480
Binding residue
(residue number reindexed from 1)		E359 E361 N383 Q384 D480
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.55: non-reducing end alpha-L-arabinofuranosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0046556 alpha-L-arabinofuranosidase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0045493 xylan catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3c7h, PDBe:3c7h, PDBj:3c7h
PDBsum3c7h
PubMed18980579
UniProtQ45071|XYND_BACSU Arabinoxylan arabinofuranohydrolase (Gene Name=xynD)

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