Structure of PDB 7a99 Chain A Binding Site BS02

Receptor Information
>7a99 Chain A (length=129) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIDEIKSRGYLLVGLSADFPPFEFVDENGNIVGFDVDLAKEIARRLGVEL
KIVDMTWDGLIPSLLTKKIDVIISGMTITEERKKVVAFSDPYFDAGGGGS
GEQYGIAVRKEDTDLLEFINSVLRELKKL
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 chain7a99 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7a99 Development of a Protein Scaffold for Arginine Sensing Generated through the Dissection of the Arginine-Binding Protein from Thermotoga maritima .
Resolution1.79 Å
Binding residue
(original residue number in PDB)		A95 G96
Binding residue
(residue number reindexed from 1)		A95 G96
Annotation score4
Binding affinityMOAD: Kd=3uM
Enzymatic activity
Enzyme Commision number ?
External links