Structure of PDB 7qi1 Chain B Binding Site BS03

Receptor Information
>7qi1 Chain B (length=232) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGSMTMDKSELVQKAKLAEQAERYDDMAAAMKAVTEQGHELSNEERNLLS
VAYKNVVGARRSSWRVISSIEQKTERNEKKQQMGKEYREKIEAELQDICN
DVLELLDKYLIPNATQPESKVFYLKMKGDYFRYLSEVASGDNKQTTVSNS
QQAYQEAFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTA
FDEAIAELNEESYKDSTLIMQLLRDNLTLWTS
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 chain7qi1 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7qi1 Macrocycle-stabilization of its interaction with 14-3-3 increases plasma membrane localization and activity of CFTR.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		E19 Y21 N52
Binding residue
(residue number reindexed from 1)		E22 Y24 N55
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links