Structure of PDB 2uxp Chain B Binding Site BS01

Receptor Information
>2uxp Chain B (length=205) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEEAQETRAQIIEAAERAFYKRGVARTTLADIAELAGVTRGAIYWHFNNK
AELVQALLDSLHETHDHLARASESEDEVDPLGCMRKLLLQVFNELVLDAR
TRRINEILHHKCEFTDDMCEIRQQRQSAVLDCHKGITLALANAVRRGQLP
GELDAERAAVAMFAYVDGLIRRWLLLPDSVDLLGDVEKWVDTGLDMLRLS
PALRK
Ligand information
Ligand IDCLM
InChIInChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
InChIKeyWIIZWVCIJKGZOK-RKDXNWHRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
CACTVS 3.341OC[CH](NC(=O)C(Cl)Cl)[CH](O)c1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
CACTVS 3.341OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO
FormulaC11 H12 Cl2 N2 O5
NameCHLORAMPHENICOL
ChEMBLCHEMBL130
DrugBankDB00446
ZINCZINC000000113382
PDB chain2uxp Chain B Residue 1211 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2uxp Crystal Structures of Multidrug Binding Protein Ttgr in Complex with Antibiotics and Plant Antimicrobials.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H67 H70 A74 E78 M89 V96 C137 I141 V171
Binding residue
(residue number reindexed from 1)		H62 H65 A69 E73 M84 V91 C132 I136 V166
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0001217 DNA-binding transcription repressor activity
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0045892 negative regulation of DNA-templated transcription
Cellular Component
GO:0032993 protein-DNA complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2uxp, PDBe:2uxp, PDBj:2uxp
PDBsum2uxp
PubMed17466326
UniProtQ9AIU0|TTGR_PSEPT HTH-type transcriptional regulator TtgR (Gene Name=ttgR)

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