Structure of PDB 8c7f Chain B Binding Site BS01

Receptor Information
>8c7f Chain B (length=739) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MELYRDPSQPIEVRVRDLLSRMTLEEKVAQLGSVWGYELIDERGKFSREK
AKELLKNGIGQITRPGGSTNLEPQEAAELVNEIQRFLVEETRLGIPAMIH
EECLTGYMGLGGTNFPQAIAMASTWDPDLIEKMTTAVREDMRKIGAHQGL
APVLDVARDPRWGRTEETFGESPYLVARMGVSYVKGLQGEDIKKGVVATV
KHFAGYSASEGGKNWAPTNIPEREFKEVFLFPFEAAVKEANVLSVMNSYS
EIDGVPCAANRKLLTDILRKDWGFEGIVVSNYFAVKVLEDYHRIARDKSE
AARLALEAGIDVELPKTECYQYLKDLVEKGIISEALIDEAVTRVLRLKFM
LGLFENPYVEVEKAKIESHRDIALEIARKSIILLKNDGILPLQKNKKVAL
IGPNAGEVRNLLGDYMYLAVLDAFKEEGIEFEYAKGCEVTGEDRSGFEEA
IEIAKKSDVAIVVVGDKSGLTLDCTTGQSRDMANLKLPGVQEELVLEVAK
TGKPVVLVLITGRPYSLKNVVDKVNAILQVWLPGEAGGRAIVDIIYGKVN
PSGKLPISFPRSAGQIPVFHYVKPSGGRSHWHGDYVDESTKPLFPFGHGL
SYTKFEYSNLRIEPKEVPPAGEVVIKVDVENIGDRDGDEVVQLYIGREFA
SVTRPVKELKGFKRVSLKAKEKKTVVFRLHMDVLAYYNRDMKLVVEPGEF
KVMVGSSSEDIRLTGSFSVVGEKREVVGMRKFFTEACEE
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 chain8c7f Chain X 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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PDB8c7f Structural and functional characterisation of a glycoside hydrolase family 3 beta-xylosidase from Thermotoga maritima
Resolution1.52 Å
Binding residue
(original residue number in PDB)		Y249 Q517
Binding residue
(residue number reindexed from 1)		Y249 Q478
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009251 glucan catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8c7f, PDBe:8c7f, PDBj:8c7f
PDBsum8c7f
PubMed
UniProtQ9WXT1

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