Structure of PDB 5o59 Chain B Binding Site BS03

Receptor Information
>5o59 Chain B (length=430) Species: 452589 (Trichoderma atroviride IMI 206040) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQVCTTQAETHPALSWSKCTSGGSCTTQAGKVVLDANWRWTHAYPSGNNC
YNGNTWDATLCPDDATCAKNCCLEGADYSGTYGVTTSGNQLTIDFVTQSA
NKNVGARLYLMASDTAYEEFTLLNNEFSFDVDVSALPCGLNGALYFVSMD
ADGGASKYPTNLAGAKYGTGYCDSQCPRDLKFISGQANVEGWQPSSNNAN
TGIGGHGSCCSEMDIWEANSISQALTPHPCETVGQVTCSGDDCGGTYSNN
RYGGTCDPDGCDWNPYRLGNHTFYGPGSGFTVDTTKKITVVTQFSSTGIN
RYYVQNGVKFVQPNASGLSGYTGNTINSAYCSAEQTAFGGTSFTDKGGLT
QMNKALSGGMVLVLSLWDDYAANMLWLDSTYPTNDTASTPGAARGTCSTS
SGVPATVEQQSPNSKVVFSNIKFGPIGSTG
Ligand information
Ligand IDGS1
InChIInChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyJUSMHIGDXPKSID-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(S)C1O)CO
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)S)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O
FormulaC6 H12 O5 S
Name1-thio-beta-D-glucopyranose;
1-thio-beta-D-glucose;
1-thio-D-glucose;
1-thio-glucose
ChEMBLCHEMBL132376
DrugBankDB03859
ZINCZINC000003815614
PDB chain5o59 Chain B Residue 511 [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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PDB5o59 Correlation of structure, function and protein dynamics in GH7 cellobiohydrolases from Trichoderma atroviride, T. reesei and T. harzianum.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Y381 R394
Binding residue
(residue number reindexed from 1)		Y381 R394
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.-
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
View graph for
Biological Process
External links
PDB RCSB:5o59, PDBe:5o59, PDBj:5o59
PDBsum5o59
PubMed29344086
UniProtG9NTY1

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