Structure of PDB 7a99 Chain A Binding Site BS01

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 A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		D18 F19 E23 W57 S74 G75 M76 T77 R82
Binding residue
(residue number reindexed from 1)		D18 F19 E23 W57 S74 G75 M76 T77 R82
Annotation score4
Binding affinityMOAD: Kd=3uM
Enzymatic activity
Enzyme Commision number ?
External links