Structure of PDB 2p5m Chain A Binding Site BS01

Receptor Information
>2p5m Chain A (length=82) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QRFNPLSKLKRALMDAFVKIDSASHMIVLKTMPGNAQAIGALMDNLDWDE
MMGTICGDDTILIICRTPEDTEGVKNRLLELL
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 chain2p5m Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2p5m Structure of the C-terminal effector-binding domain of AhrC bound to its corepressor L-arginine.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		G124 D125 D126 T127
Binding residue
(residue number reindexed from 1)		G57 D58 D59 T60
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:2p5m, PDBe:2p5m, PDBj:2p5m
PDBsum2p5m
PubMed18007040
UniProtP17893|ARGR_BACSU Arginine repressor (Gene Name=argR)

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