Structure of PDB 4v0z Chain A Binding Site BS05

Receptor Information
>4v0z Chain A (length=434) Species: 334564 (Trichoderma reesei QM9414) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESACTLQSETHPPLTWQKCSSGGTCTQQTGSVVIDANWRWTHATNSSTNC
YDGNTWSSTLCPDNETCAKNCCLDGAAYASTYGVTTSGNSLSIGFVTQSA
QKNVGARLYLMASDTTYQEFTLLGNEFSFDVDVSQLPCGLNGALYFVSMD
ADGGVSKYPTNTAGAKYGTGYCDSQCPRDLKFINGQANVEGWEPSSNNAN
TGIGGHGSCCSEMDIWEANSISEALTPHPCTTVGQEICEGDGCGGTYSDN
RYGGTCDPDGCDWNPYRLGNTSFYGPGSSFTLDTTKKLTVVTQFETSGAI
NRYYVQDGVTFQQPNAELGSYSGNELNDDYCTAEEAEFGGSSFSDKGGLT
QFKKATSGGMVLVMSLWDDYYANMLWLDSTYPTNETSSTPGAVRGSCSTS
SGVPAQVESQSPNAKVTFSNIKFGPIGSTGNPSG
Ligand information
Ligand IDOPO
InChIInChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
InChIKeyIQUPABOKLQSFBK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)[N+](=O)[O-])O
CACTVS 3.385Oc1ccccc1[N+]([O-])=O
ACDLabs 12.01O=[N+]([O-])c1ccccc1O
FormulaC6 H5 N O3
NameO-NITROPHENOL
ChEMBLCHEMBL14205
DrugBank
ZINCZINC000034719541
PDB chain4v0z Chain A Residue 442 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4v0z Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		Y381 P382 R394
Binding residue
(residue number reindexed from 1)		Y381 P382 R394
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E212 D214 E217 H228
Catalytic site (residue number reindexed from 1) E212 D214 E217 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

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Molecular Function
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Biological Process
External links
PDB RCSB:4v0z, PDBe:4v0z, PDBj:4v0z
PDBsum4v0z
PubMed35997626
UniProtP62694|GUX1_HYPJE Exoglucanase 1 (Gene Name=cbh1)

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