Structure of PDB 5z5f Chain A Binding Site BS01

Receptor Information
>5z5f 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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5z5f Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5z5f Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D316 S344 D503
Binding residue
(residue number reindexed from 1)		D310 S338 D497
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5z5f, PDBe:5z5f, PDBj:5z5f
PDBsum5z5f
PubMed29698436
UniProtQ2I2N4

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