Structure of PDB 5ey1 Chain B Binding Site BS01

Receptor Information
>5ey1 Chain B (length=168) Species: 418127 (Staphylococcus aureus subsp. aureus Mu3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSLLSKTRELNTLLQKHKGIAVDFKDVAQTISSVTVTNVFIVSRRGKILG
SSLNELLKSQRIIQMLEERHIPSEYTERLMEVKQTESNIDIDNVLTVFPP
ENRELFIDSRTTIFPILGGGERLGTLVLGRVHDDFNENDLVLGEYAATVI
GMEILREKHSEVEKEARD
Ligand information
Ligand IDILE
InChIInChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyAGPKZVBTJJNPAG-WHFBIAKZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC[C@H](C)[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CCC(C)C(C(=O)O)N
CACTVS 3.341CC[CH](C)[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C(C)CC
CACTVS 3.341CC[C@H](C)[C@H](N)C(O)=O
FormulaC6 H13 N O2
NameISOLEUCINE
ChEMBLCHEMBL1233584
DrugBankDB00167
ZINCZINC000003581355
PDB chain5ey1 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ey1 The structure of the pleiotropic transcription regulator CodY provides insight into its GTP-sensing mechanism
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R61 Y75 T96 V97 F98
Binding residue
(residue number reindexed from 1)		R61 Y75 T96 V97 F98
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0005525 GTP binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0045892 negative regulation of DNA-templated transcription
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ey1, PDBe:5ey1, PDBj:5ey1
PDBsum5ey1
PubMed27596595
UniProtA7X1N2|CODY_STAA1 Global transcriptional regulator CodY (Gene Name=codY)

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