Structure of PDB 2x8s Chain A Binding Site BS03

Receptor Information
>2x8s Chain A (length=443) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPIFKEVSVHDPSIIETNGTFYVFGSHLASAKSNDLMQWQQLTTSVSNDN
PLIPNVYEELKETFEWAQSDTLWAADVTQLADGKYYMYYNACRGDSPRSA
MGVAVADNIEGPYKNKGIFLKSGMEGTSSDGTPYDATKHPNVVAPHTFFD
KDGKLWMVYGSYSGGIFILEMNPKTGFPLPGQGYGKKLLGGNHSRIEGPY
VLYNPDTQYYYLYLSYGGLDATGGYNIRVARSKKPDGPYYDAEGNPMLDV
RGKGGTFFDDRSIEPYGVKLMGSYTFETENEKGTGYVSPGHNSAYYDEKT
GRSYLIFHTRFPGRGEEHEVRVHQLFMNKDGWPVAAPYRYAGETLKEVKQ
KDITGTYKLIQHGKDISADIKQTINIQLNKNHTISGEMTGTWRKTGKNTA
DITLAGKKYNGVFLRQWDSVREKNVMTFSVLNTSGEAVWGSKL
Ligand information
Ligand IDAHR
InChIInChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
InChIKeyHMFHBZSHGGEWLO-QMKXCQHVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(OC(O)C1O)CO
FormulaC5 H10 O5
Namealpha-L-arabinofuranose;
alpha-L-arabinose;
L-arabinose;
arabinose
ChEMBL
DrugBankDB03142
ZINCZINC000002569310
PDB chain2x8s Chain C Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2x8s New Evidence for the Role of Calcium in the Glycosidase Reaction of Gh43 Arabinanases.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		W100 Y189 E224
Binding residue
(residue number reindexed from 1)		W73 Y162 E197
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.99: arabinan endo-1,5-alpha-L-arabinosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2x8s, PDBe:2x8s, PDBj:2x8s
PDBsum2x8s
PubMed20883454
UniProtP42293|EABN2_BACSU Extracellular endo-alpha-(1->5)-L-arabinanase 2 (Gene Name=abn2)

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