Structure of PDB 1wu6 Chain A Binding Site BS01

Receptor Information
>1wu6 Chain A (length=376) Species: 272558 (Halalkalibacterium halodurans C-125) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGAFYTREYRNLFKEFGYSEAEIQERVKDTWEQLFGDNPETKIYYEVGDD
LGYLLDTGNLDVRTAGMSYGMMMAVQMDRKDIFDRIWNWTMKNMYMTEGV
HAGYFAWSCQPDGTKNSWGPAPDGEEYFALALFFASHRWGDGDEQPFNYS
EQARKLLHTCVHNGEGGPGHPMWNRDNKLIKFIPEVEFSDPSYHLPHFYE
LFSLWANEEDRVFWKEAAEASREYLKIACHPETGLAPEYAYYDGTPNDEK
GYGHFFSDSYRVAANIGLDAEWFGGSEWSAEEINKIQAFFADKEPEDYRR
YKIDGEPFEEKSLHPVGLIATNAMGSLASVDGPYAKANVDLFWNTPVRTG
NRRYYDNCLYLFAMLALSGNFKIWFP
Ligand information
Ligand IDXYP
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeySRBFZHDQGSBBOR-KKQCNMDGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namebeta-D-xylopyranose;
beta-D-xylose;
D-xylose;
xylose
ChEMBL
DrugBank
ZINCZINC000001529215
PDB chain1wu6 Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wu6 Structural Basis for the Specificity of the Reducing End Xylose-releasing Exo-oligoxylanase from Bacillus halodurans C-125
Resolution1.45 Å
Binding residue
(original residue number in PDB)		A70 D128 Y198 R266
Binding residue
(residue number reindexed from 1)		A65 D123 Y193 R261
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.156: oligosaccharide reducing-end xylanase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033951 oligosaccharide reducing-end xylanase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0045493 xylan catabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1wu6, PDBe:1wu6, PDBj:1wu6
PDBsum1wu6
PubMed15718242
UniProtQ9KB30|REOX_HALH5 Reducing end xylose-releasing exo-oligoxylanase (Gene Name=BH2105)

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