Structure of PDB 1jwl Chain B Binding Site BS03

Receptor Information
>1jwl Chain B (length=329) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPVTLYDVAEYAGVSYQTVSRVVNQASHVSAKTREKVEAAMAELNYIPNR
VAQQLAGKQSLLIGVATSSLALHAPSQIVAAIKSRADQLGASVVVSMVER
SGVEACKTAVHNLLAQRVSGLIINYPLDDQDAIAVEAACTNVPALFLDVS
DQTPINSIIFSHEDGTRLGVEHLVALGHQQIALLAGPLSSVSARLRLAGW
HKYLTRNQIQPIAEREGDWSAMSGFQQTMQMLNEGIVPTAMLVANDQMAL
GAMRAITESGLRVGADISVVGYDDTEDSSCYIPPLTTIKQDFRLLGQTSV
DRLLQLSQGQAVKGNQLLPVSLVKRKTTL
Ligand information
Ligand IDNPF
InChIInChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-5-3-2-4-7(8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1
InChIKeySWRPIVXPHLYETN-BVWHHUJWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH]1O[CH](Oc2ccccc2[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O)O
CACTVS 3.341C[C@H]1O[C@@H](Oc2ccccc2[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)Oc2ccccc2[N+](=O)[O-])O)O)O
ACDLabs 10.04[O-][N+](=O)c2c(OC1OC(C(O)C(O)C1O)C)cccc2
FormulaC12 H15 N O7
Name2-nitrophenyl beta-D-fucopyranoside;
ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE;
2-nitrophenyl 6-deoxy-beta-D-galactopyranoside;
2-nitrophenyl beta-D-fucoside;
2-nitrophenyl D-fucoside;
2-nitrophenyl fucoside
ChEMBL
DrugBankDB08297
ZINCZINC000006031723
PDB chain1jwl Chain B Residue 334 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1jwl Crystallographic analysis of Lac repressor bound to natural operator O1.
Resolution4.0 Å
Binding residue
(original residue number in PDB)
A75 F161 R197 N246 D274 F293
Binding residue
(residue number reindexed from 1)
A74 F160 R196 N245 D273 F292
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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Cellular Component
External links
PDB RCSB:1jwl, PDBe:1jwl, PDBj:1jwl
PDBsum1jwl
PubMed11580238
UniProtP03023|LACI_ECOLI Lactose operon repressor (Gene Name=lacI)

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