Structure of PDB 1r0x Chain D Binding Site BS01

Receptor Information
>1r0x Chain D (length=263) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGIIMENVTAFWEEGFGELLEKFSHLCLVGNPVLKNINLNIEKGEMLAIT
GSTGSGKTSLLMLILGELEASEGIIKHSGRVSFCSQFSWIMPGTIKENII
FGVSYDEYRYKSVVKACQLQQDITKFAEQDNTVLGEGGVTLSGGQRARIS
LARAVYKDADLYLLDSPFGYLDVFTEEQVFESCVCKLMANKTRILVTSKM
EHLRKADKILILHQGSSYFYGTFSELQSLRPDFSSKLMGYDTFDQFTEER
RSSILTETLRRFS
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 chain1r0x Chain D Residue 14 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1r0x Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T465 Q493
Binding residue
(residue number reindexed from 1)		T58 Q86
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:1r0x, PDBe:1r0x, PDBj:1r0x
PDBsum1r0x
PubMed14685259
UniProtP26361|CFTR_MOUSE Cystic fibrosis transmembrane conductance regulator (Gene Name=Cftr)

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