Structure of PDB 7qi1 Chain B Binding Site BS02

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 IDQ95
InChIInChI=1S/C14H15NS/c1-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)10-15/h2-9H,10,15H2,1H3
InChIKeyCGBSXMIZWLICSP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1ccccc1Sc2ccccc2CN
FormulaC14 H15 N S
Name[2-(2-methylphenyl)sulfanylphenyl]methanamine
ChEMBL
DrugBank
ZINC
PDB chain7qi1 Chain A Residue 303 [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)		A18 E19
Binding residue
(residue number reindexed from 1)		A21 E22
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links