Structure of PDB 3cag Chain A Binding Site BS03

Receptor Information
>3cag Chain A (length=77) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDRMARLLGELLVSTDDSGNLAVLRTPPGAAHYLASAIDRAALPQVVGTI
AGDDTILVVAREPTTGAQLAGMFENLR
Ligand information
Ligand IDARG
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain3cag Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3cag Structure of the C-terminal domain of the arginine repressor protein from Mycobacterium tuberculosis.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G145 D146 D147 T148
Binding residue
(residue number reindexed from 1)		G52 D53 D54 T55
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003700 DNA-binding transcription factor activity
GO:0034618 arginine binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0051259 protein complex oligomerization

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Molecular Function
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Biological Process
External links
PDB RCSB:3cag, PDBe:3cag, PDBj:3cag
PDBsum3cag
PubMed18703843
UniProtP9WPY9|ARGR_MYCTU Arginine repressor (Gene Name=argR)

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