Structure of PDB 8c7f Chain A Binding Site BS01

Receptor Information
>8c7f Chain A (length=772) 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
IGPNAGEVRNLLGDYMYLAHIRALLDNIDDVFGNERLKKSIEEHMKSIPS
VLDAFKEEGIEFEYAKGCEVTGEDRSGFEEAIEIAKKSDVAIVVVGDKSG
LTLDCTTGQSRDMANLKLPGVQEELVLEVAKTGKPVVLVLITGRPYSLKN
VVDKVNAILQVWLPGEAGGRAIVDIIYGKVNPSGKLPISFPRSAGQIPVF
HYVKPSGGRSHWHGDYVDESTKPLFPFGHGLSYTKFEYSNLRIEPKEVPP
AGEVVIKVDVENIGDRDGDEVVQLYIGREFASVTRPVKELKGFKRVSLKA
KEKKTVVFRLHMDVLAYYNRDMKLVVEPGEFKVMVGSSSEDIRLTGSFSV
VGEKREVVGMRKFFTEACEEAA
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 C Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		E102 R164 K201 H202 Y249 N281 Y282 Y415 Q517
Binding residue
(residue number reindexed from 1)		E102 R164 K201 H202 Y249 N281 Y282 Y415 Q509
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

[Back to BioLiP]