Structure of PDB 4d5v Chain A Binding Site BS04

Receptor Information
>4d5v Chain A (length=434) Species: 51453 (Trichoderma reesei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESACTLQSETHPPLTWQKCSSGGTCTQQTGSVVIDANWRWTHATNSSTNC
YDGNTWSSTLCPDNETCAKNCCLDGAAYASTYGVTTSGNSLSIDFVTQSA
QKNVGARLYLMASDTTYQEFTLLGNEFSFDVDVSQLPCGLNGALYFVSMD
ADGGVSKYPTNTAGAKYGTGYCDSQCPRDLKFINGQANVEGWEPSSNNAN
TGIGGHGSCCSEMDIWQANSISEALTPHPCTTVGQEICEGDGCGGTYSDN
RYGGTCDPDGCDWNPYRLGNTSFYGPGSSFTLDTTKKLTVVTQFETSGAI
NRYYVQNGVTFQQPNAELGSYSGNELNDDYCTAEEAEFGGSSFSDKGGLT
QFKKATSGGMVLVMSLWDDYYANMLWLDSTYPTNETSSTPGAVRGSCSTS
SGVPAQVESQSPNAKVTFSNIKFGPIGSTGNPSG
Ligand information
Ligand IDXLS
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
InChIKeyPYMYPHUHKUWMLA-VPENINKCSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=CC(O)C(O)C(O)CO
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)C=O
OpenEye OEToolkits 1.5.0C([C@H]([C@@H]([C@H](C=O)O)O)O)O
CACTVS 3.341OC[C@@H](O)[C@H](O)[C@@H](O)C=O
OpenEye OEToolkits 1.5.0C(C(C(C(C=O)O)O)O)O
FormulaC5 H10 O5
NameD-xylose;
D-XYLOSE (LINEAR FORM)
ChEMBLCHEMBL1236821
DrugBankDB09419
ZINCZINC000018168715
PDB chain4d5v 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

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PDB4d5v Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
Resolution1.62 Å
Binding residue
(original residue number in PDB)		D173 Q175 E212 D214 Q217 W367
Binding residue
(residue number reindexed from 1)		D173 Q175 E212 D214 Q217 W367
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E212 D214 Q217 H228
Catalytic site (residue number reindexed from 1) E212 D214 Q217 H228
Enzyme Commision number 3.2.1.91: cellulose 1,4-beta-cellobiosidase (non-reducing end).
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4d5v, PDBe:4d5v, PDBj:4d5v
PDBsum4d5v
PubMed25765184
UniProtP62694|GUX1_HYPJE Exoglucanase 1 (Gene Name=cbh1)

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