Structure of PDB 5loe Chain D Binding Site BS01

Receptor Information
>5loe Chain D (length=257) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASLQKTRIINSMLQAAAGKPVNFKEMAETLRDVIDSNIFVVSRRGKLLGY
SINQQIENDRMKKMLEDRQFPEEYTKNLFNVPETSSNLDINSEYTAFPVE
NRDLFQAGLTTIVPIIGGGERLGTLILSRLQDQFNDDDLILAEYGATVVG
MEILREKAEEIEEEARSKAVVQMAISSLSYSELEAIEHIFEELDGNEGLL
VASKIADRVGITRSVIVNALRKLESAGVIESRSLGMKGTYIKVLNNKFLI
ELENLKS
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 chain5loe Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5loe Structure of the Branched-chain Amino Acid and GTP-sensing Global Regulator, CodY, from Bacillus subtilis.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R61 E94 T96 F98 V100
Binding residue
(residue number reindexed from 1)		R60 E93 T95 F97 V99
Annotation score4
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
GO:0005515 protein binding
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
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:5loe, PDBe:5loe, PDBj:5loe
PDBsum5loe
PubMed28011634
UniProtP39779|CODY_BACSU Global transcriptional regulator CodY (Gene Name=codY)

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