Structure of PDB 5z5f Chain A Binding Site BS02

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 IDFUB
InChIInChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5-/m0/s1
InChIKeyHMFHBZSHGGEWLO-KLVWXMOXSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@@H]1O[C@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(OC(O)C1O)CO
FormulaC5 H10 O5
Namebeta-L-arabinofuranose;
beta-L-arabinose;
L-arabinose;
arabinose
ChEMBL
DrugBank
ZINCZINC000004097027
PDB chain5z5f Chain A Residue 602 [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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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)		D14 F31 F73 A74 D121 E177 T197 H238 R269
Binding residue
(residue number reindexed from 1)		D14 F31 F73 A74 D121 E177 T197 H238 R269
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=2.17,Ki=6.8mM
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:5z5f, PDBe:5z5f, PDBj:5z5f
PDBsum5z5f
PubMed29698436
UniProtQ2I2N4

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