Structure of PDB 5zqs Chain A Binding Site BS02

Receptor Information
>5zqs Chain A (length=533) Species: 1408 (Bacillus pumilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKITNPVLKGFNPDPSICRAGEDYYMAVSTFEWFPGVQIYHSKDLIHWRL
AARPLQKTSQLDMKGNPDSGGVWAPCLSYADGQFWLIYSDIKVVDGPFKD
GHNYLVTADAVDGEWSDPVRLNSSGFDPSLFHDPSGKKYVLNMLWDHREK
HHSFAGIALQEYSVSEKKLVGERKVIFKGTPIKLTQAPHLYYINDVYYLL
TAEGGTRYEHAATIARSSRIDGPYEVHPDNPILTAFHAPSHPLQKCGHAS
IVQTHTNEWYLAHLTGRPIHSSKESIFQQRGWCPLGRETAIQKLEWKDGW
PYVVGGKEGLLEVEAPAMSVKEFSPTYHIVDEFKDSSLNRHFQTLRIPFT
DQIGSVTENPHHLRLYGQESLTSKFTQAFVARRWQSFYFEAETAVSFFPK
NFQQAAGLVNYYNTENWTALQVTYDDALGRILELSVCENLAFSQPLIKKI
IIPDEIPYVYLKVTVQRETYTYSYSFDQQEWEKIDVPLESTHLSDDFIRG
GGYFTGAFVGMQCQDTSGERLPADFKYFRYEET
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 chain5zqs Chain C Residue 2 [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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PDB5zqs Structure-based protein engineering of bacterial beta-xylosidase to increase the production yield of xylobiose from xylose
Resolution1.782 Å
Binding residue
(original residue number in PDB)		D14 F31 W73 D127 Q186 R287 F504
Binding residue
(residue number reindexed from 1)		D14 F31 W73 D127 Q186 R287 F504
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.37: xylan 1,4-beta-xylosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0009044 xylan 1,4-beta-xylosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0045493 xylan catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5zqs, PDBe:5zqs, PDBj:5zqs
PDBsum5zqs
PubMed29752942
UniProtP07129|XYNB_BACPU Beta-xylosidase (Gene Name=xynB)

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