Structure of PDB 5zqs Chain B Binding Site BS01

Receptor Information
>5zqs Chain B (length=530) 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
IVQTHTNEWYLAHLTGRPIHSSIFQQRGWCPLGRETAIQKLEWKDGWPYV
VGGKEGLLEVEAPAMSVKEFSPTYHIVDEFKDSSLNRHFQTLRIPFTDQI
GSVTENPHHLRLYGQESLTSKFTQAFVARRWQSFYFEAETAVSFFPKNFQ
QAAGLVNYYNTENWTALQVTYDDALGRILELSVCENLAFSQPLIKKIIIP
DEIPYVYLKVTVQRETYTYSYSFDQQEWEKIDVPLESTHLSDDFIRGGGY
FTGAFVGMQCQDTSGERLPADFKYFRYEET
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 D Residue 1 [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)		Q186 G205 T206 Y503
Binding residue
(residue number reindexed from 1)		Q186 G205 T206 Y500
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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