Structure of PDB 3cag Chain A Binding Site BS01

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 A 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)		H125 S129 D132 T142 I143
Binding residue
(residue number reindexed from 1)		H32 S36 D39 T49 I50
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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