Structure of PDB 5ysz Chain A Binding Site BS01

Receptor Information
>5ysz Chain A (length=327) Species: 269800 (Thermobifida fusca YX) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPTLEMVAALAGVGRGTVSRVINGSDQVSPATREAVKRAIKELGYVPNRR
TDTVALVVSENNQKLFAEPFYAGIVLGVGVALSERGFQFVLATGRSGIEH
ERLGGYLAGQHVDGVLLLSLHRDDPLPQMLDEAGVPYVYGGRPLGVPEEQ
VSYVDIDNIGGGRQATQRLIETGHRRIATIAGPQDMVAGVERLQGYREAL
LAAGMEYDETLVSYGDFTYDSGVAAMRELLDRAPDVDAVFAASDLMGLAA
LRVLRASGRRVPEDVAVVGYDDSTVAEHAEPPMTSVNQPTELMGREMARL
LVDRITGETTEPVRLVLETHLMVRESG
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain5ysz Chain B 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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PDB5ysz Structural and functional analyses of the cellulase transcription regulator CelR
Resolution1.631 Å
Binding residue
(original residue number in PDB)		F83 S132 G153 D168 I169 N171 R205 Q301 M306
Binding residue
(residue number reindexed from 1)		F70 S119 G140 D155 I156 N158 R192 Q288 M293
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:5ysz, PDBe:5ysz, PDBj:5ysz
PDBsum5ysz
PubMed30062758
UniProtQ47RE1

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