Structure of PDB 3si7 Chain C Binding Site BS02

Receptor Information
>3si7 Chain C (length=265) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STTGIIMENVTAFWEEGFGELLEKVQSHLCLVGNPVLKNINLNIEKGEML
AITGSTGSGKTSLLMLILGELEASEGIIKHSGRVSFCSQFSWIMPGTIKE
NIIGVSYDEYRYKSVVKACQLQQDITKFAEQDNTVLGEGGVTLSGGQRAR
ISLARAVYKDADLYLLDSPFGYLDVFTEEQVFESCVCKLMANKTRILVTS
KMEHLRKADKILILHQGSSYFYGTFSELQSLRPDFSSKLMGYDTFDQFTE
ERRSSILTETLRRFS
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3si7 Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3si7 Requirements for efficient correction of DeltaF508 CFTR revealed by analyses of evolved sequences
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Q413 T465 Q493
Binding residue
(residue number reindexed from 1)		Q26 T61 Q89
Annotation score1
Enzymatic activity
Enzyme Commision number 5.6.1.6: channel-conductance-controlling ATPase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:3si7, PDBe:3si7, PDBj:3si7
PDBsum3si7
PubMed22265409
UniProtP26361|CFTR_MOUSE Cystic fibrosis transmembrane conductance regulator (Gene Name=Cftr)

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