Structure of PDB 3lap Chain C Binding Site BS04

Receptor Information
>3lap Chain C (length=149) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANRAGRQARIVAILSSAQVRSQNELAALLAAEGIEVTQATLSRDLEELGA
VKLRGADGGTGIYVVPEGVSGGTDRMARLLGELLVSTDDSGNLAVLRTPP
GAAHYLASAIDRAALPQVVGTIAGDDTILVVAREPTTGAQLAGMFENLR
Ligand information
Ligand IDGGB
InChIInChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1
InChIKeyFSBIGDSBMBYOPN-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)CCONC(=[N@H])N
OpenEye OEToolkits 1.5.0[H]N=C(N)NOCCC(C(=O)O)N
CACTVS 3.341N[CH](CCONC(N)=N)C(O)=O
CACTVS 3.341N[C@@H](CCONC(N)=N)C(O)=O
OpenEye OEToolkits 1.5.0[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N
FormulaC5 H12 N4 O3
NameL-CANAVANINE;
L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID
ChEMBLCHEMBL443732
DrugBankDB01833
ZINCZINC000003869452
PDB chain3lap Chain C Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lap crystal structure of the intermediate complex of the arginine repressor from Mycobacterium tuberculosis bound with its DNA operator reveals detailed mechanism of arginine repression.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		H125 D132 T142
Binding residue
(residue number reindexed from 1)		H104 D111 T121
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0034618 arginine binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0006525 arginine metabolic process
GO:0006526 L-arginine biosynthetic process
GO:0051259 protein complex oligomerization
GO:1900079 regulation of arginine biosynthetic process
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:3lap, PDBe:3lap, PDBj:3lap
PDBsum3lap
PubMed20382162
UniProtP9WPY9|ARGR_MYCTU Arginine repressor (Gene Name=argR)

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