Structure of PDB 6iot Chain A Binding Site BS01

Receptor Information
>6iot Chain A (length=238) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSVREEIESLVQDSLMEMVKGVKNTIESDLASKKGLAQSTTEILQLDPTN
KAFAKSVLESPNLKGSFLAIGLGYESDATVVENDDGWEPNADYDPRKRPW
YVDAKRERKLVVTEPYVDISTKKIIISIGTPVYQQSNFVGAMFYDVELTQ
LAQLVNSVNLFDAGYLFITTKDGVTIAHPNAENNGEKFSQFLPNVDLKEG
TQRIELDGKYYLVKFAQVPSESWYIGAVVDESIAFAMV
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 chain6iot Chain A Residue 501 [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]
PDB6iot Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		A96 D111 W114 Y120 R125 W127 Y143 D145 S147 D172
Binding residue
(residue number reindexed from 1)		A69 D84 W87 Y93 R98 W100 Y116 D118 S120 D145
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=5.24,Kd=5.7uM
Enzymatic activity
Enzyme Commision number ?
External links