Structure of PDB 1q3h Chain B Binding Site BS01

Receptor Information
>1q3h Chain B (length=267) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTGIIMENVTAFWEEGFGELLEKVVSFSHLCLVGNPVLKNINLNIEKGEM
LAITGSTGSGKTSLLMLILGELEASEGIIKHSGRVSFCSQFSWIMPGTIK
ENIIFGVSYDEYRYKSVVKACQLQQDITKFAEQDNTVLGEGGVTLSGGQR
ARISLARAVYKDADLYLLDSPFGYLDVFTEEQVFESCVCKLMANKTRILV
TSKMEHLRKADKILILHQGSSYFYGTFSELQSLRPDFSSKLMGYDTFDQF
TEERRSSILTETLRRFS
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 chain1q3h Chain B Residue 674 [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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PDB1q3h Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T465 Q493
Binding residue
(residue number reindexed from 1)		T62 Q90
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:1q3h, PDBe:1q3h, PDBj:1q3h
PDBsum1q3h
PubMed14685259
UniProtP26361|CFTR_MOUSE Cystic fibrosis transmembrane conductance regulator (Gene Name=Cftr)

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