Structure of PDB 5z5i Chain A Binding Site BS03

Receptor Information
>5z5i Chain A (length=504) Species: 33941 (Geobacillus thermoleovorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEYSNPVIKGFYPDPSICRVGSDYYLVTSSFQYFPGVPIFHSTNLINWNK
IGYCLIRPSQLMLNNATNRSGIFAPTLRYHEGIFYLITTNVTLKKNFIVM
SEDLQGEWSEPIWIDGWGGIDPSLFFDNDGKVYITGTNDNARGEELGIYQ
AEIDLKKGSIIGERKLIWKGTGGSYPEAPHLYKVNGWYYLLIAEGGTEYG
HMVTVARSKYPFGPFESCPFNPILTHRSTNHPLQAIGHADIVQYHDGSWW
AVFHGTRPISYPPKHHLGRETCLAPIKWTDDGWPIIGYNGRIDIKMDAGY
LPVKEIIEDDFNSDIFSTDWNFIQNPRLEHYSLKGRPSWLKMRGTEKTLN
DINSPTFIGRRQEHFVCNVSTLLEFKPNQDNEEAGLTVYMNEKHHYEIAL
TKKNGRINVVLKKTVGDIQVVVNSLEYFSNTIIFSIQANPEEYKFSFVDP
NTGQTYLLGTGLTTLLSTEVAGGFTGVYFGLYATGNGKVCTAPAFFDWFK
YIPE
Ligand information
Ligand IDXYS
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
InChIKeySRBFZHDQGSBBOR-LECHCGJUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namealpha-D-xylopyranose;
alpha-D-xylose;
D-xylose;
xylose;
XYLOPYRANOSE
ChEMBL
DrugBankDB03389
ZINCZINC000001529214
PDB chain5z5i Chain A Residue 603 [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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PDB5z5i Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		Y175 E177 G196 T197 E198
Binding residue
(residue number reindexed from 1)		Y175 E177 G196 T197 E198
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
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5z5i, PDBe:5z5i, PDBj:5z5i
PDBsum5z5i
PubMed29698436
UniProtQ2I2N4

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