Structure of PDB 3gbg Chain A Binding Site BS01

Receptor Information
>3gbg Chain A (length=260) Species: 345073 (Vibrio cholerae O395) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKSFQTNVYRMSKFDTYIFNNLYINDYKMFWIDSGIAKLIDKNCLVSYEI
NSSSIILLKKNSIQRFSLTSLSDENINVSVITISDSFIRSLKSYILGNKD
LLLWNCEHNDIAVLSEVVNGFREINYSDEFLKVFFSGFFSKVEKKYNSIF
ITDDLDAMEKISCLVKSDITRNWRWADICGELRTNRMILKKELESRGVKF
RELINSIRISYSISLMKTGEFKIKQIAYQSGFASVSYFSTVFKSTMNVAP
SEYLFMLTGV
Ligand information
Ligand IDPAM
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
InChIKeySECPZKHBENQXJG-FPLPWBNLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC\C=C/CCCCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCCCC\C=C/CCCCCC
CACTVS 3.341CCCCCCC=CCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCC=CCCCCCCCC(=O)O
CACTVS 3.341CCCCCC\C=C/CCCCCCCC(O)=O
FormulaC16 H30 O2
NamePALMITOLEIC ACID
ChEMBLCHEMBL453509
DrugBankDB04257
ZINCZINC000008221009
PDB chain3gbg Chain A Residue 5975 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gbg Structure of Vibrio cholerae ToxT reveals a mechanism for fatty acid regulation of virulence genes.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y12 Y20 K31 F33 K230
Binding residue
(residue number reindexed from 1)		Y9 Y17 K28 F30 K217
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0001216 DNA-binding transcription activator activity
GO:0001217 DNA-binding transcription repressor activity
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0043565 sequence-specific DNA binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0045892 negative regulation of DNA-templated transcription
GO:0045893 positive regulation of DNA-templated transcription
Cellular Component
GO:0005737 cytoplasm
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:3gbg, PDBe:3gbg, PDBj:3gbg
PDBsum3gbg
PubMed20133655
UniProtA5F384|TCPN_VIBC3 TCP pilus virulence regulatory protein (Gene Name=tcpN)

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