Structure of PDB 4rzt Chain D Binding Site BS01

Receptor Information
>4rzt Chain D (length=295) Species: 536056 (Escherichia coli DH1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLIGVATSSLALHAPSQIVAAIKSRADQLGASVVVSMVERSGVEACKAAV
HNLLAQRVSGLIINYPLDDQDAIAVEAACTNVPALFLTASDQTPLNSIIF
SHEDGTRLGVEHLVALGHQQIALLAGPLSSVDARLRLAGWHKYLTRNQIQ
PIAEREGDWSAMSGFQQTMQMLNEGIVPTAMLVANDQMALGAMRAITESG
LRVGADISVVGYDDTEDSSCYIPPLTTIKQDFRLLGQTSVDRLLQLSQGQ
AVKGNQLLPVSLVKRKTTLAPNTQTASPRALADSLMQLARQVSRL
Ligand information
Ligand IDRRY
InChIInChI=1S/C6H10Cl2O4/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,9-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyDPQRLGLZWCGBGE-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC1C(O)C(CCl)OC1(CCl)O
CACTVS 3.385O[CH]1[CH](O)[C](O)(CCl)O[CH]1CCl
CACTVS 3.385O[C@H]1[C@H](O)[C@@](O)(CCl)O[C@@H]1CCl
OpenEye OEToolkits 2.0.7C(C1C(C(C(O1)(CCl)O)O)O)Cl
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@@H]([C@](O1)(CCl)O)O)O)Cl
FormulaC6 H10 Cl2 O4
Name1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose
ChEMBL
DrugBank
ZINC
PDB chain4rzt Chain H Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rzt Engineering an allosteric transcription factor to respond to new ligands.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		P76 I79 N125 Y126 F161 D193
Binding residue
(residue number reindexed from 1)		P15 I18 N64 Y65 F100 D132
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0000987 cis-regulatory region sequence-specific DNA binding
GO:0001217 DNA-binding transcription repressor activity
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0042802 identical protein binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0045892 negative regulation of DNA-templated transcription
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4rzt, PDBe:4rzt, PDBj:4rzt
PDBsum4rzt
PubMed26689263
UniProtP03023|LACI_ECOLI Lactose operon repressor (Gene Name=lacI)

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