Structure of PDB 6uk1 Chain B Binding Site BS02

Receptor Information
>6uk1 Chain B (length=228) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIWPSGGQMTVKDLTAKYTEGGNAILENISFSISPGQRVGLLGRTGSGKS
TLLLAFLRLLNTEGEIQIDGVSWDSITLEQWRKAFGVIPQDVFIFSGTFR
KNLDPNEQWSDQEIWKVADEVGLRSVIEQFPGGLDFVLVDGGCVLSHGHK
QLMCLARAVLSKAKILLLDEPSAHLDPVTYQIIRRTLKQAFADCTVILCE
ARIEAMLECDQFLVIEENKVRQYDSIQK
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 chain6uk1 Chain B Residue 1502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6uk1 Mutational stabilization of the second nucleotide binding domain (NBD2) of CFTR yields soluble protein and insight into NBD2 disease-causing mutations
Resolution2.693 Å
Binding residue
(original residue number in PDB)		S1251 D1370 E1371
Binding residue
(residue number reindexed from 1)		S50 D169 E170
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:6uk1, PDBe:6uk1, PDBj:6uk1
PDBsum6uk1
PubMed
UniProtP13569|CFTR_HUMAN Cystic fibrosis transmembrane conductance regulator (Gene Name=CFTR)

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