Structure of PDB 4l5j Chain B Binding Site BS01

Receptor Information
>4l5j Chain B (length=308) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQGMCEEEQVARIAWFYYHDGLTQSEISDRLGLTRLKVSRLLEKGHQSGI
IRVQINSRFEGCLEYETQLRRQFSLQHVRVIPGLADADVGGRLGIGAAHM
LMSLLQPQQMLAIGFGEATMNTLQRLSGFISSQQIRLVTLSGGVGSYMTG
IGQLNAACSVNIIPAPLRASSADIARTLKNENCVKDVLLAAQAADVAIVG
IGAVSQQDDATIIRSGYISQGEQLMIGRKGAVGDILGYFFDAKGDVVTNI
KIHNELIGLPLSALKTIPVRVGVAGGENKAEAIAAAMKGGYINALVTDQD
TAAAILRS
Ligand information
Ligand IDHSX
InChIInChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1
InChIKeyKTVPXOYAKDPRHY-AIHAYLRMSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C1O
CACTVS 3.341O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]1O
FormulaC5 H11 O8 P
Name5-O-phosphono-alpha-D-ribofuranose;
5-O-phosphono-alpha-D-ribose;
5-O-phosphono-D-ribose;
5-O-phosphono-ribose
ChEMBLCHEMBL605020
DrugBank
ZINCZINC000004096190
PDB chain4l5j Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4l5j Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G125 E126 A127 G209 I210 T220 I221 D243 L245
Binding residue
(residue number reindexed from 1)		G116 E117 A118 G200 I201 T211 I212 D234 L236
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000987 cis-regulatory region sequence-specific DNA binding
GO:0003677 DNA binding
GO:0030246 carbohydrate binding
GO:0042802 identical protein binding
Biological Process
GO:0006351 DNA-templated transcription
GO:0009408 response to heat
GO:2000142 regulation of DNA-templated transcription initiation
Cellular Component
GO:0005737 cytoplasm
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:4l5j, PDBe:4l5j, PDBj:4l5j
PDBsum4l5j
PubMed24047255
UniProtP76141|LSRR_ECOLI Transcriptional regulator LsrR (Gene Name=lsrR)

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