Structure of PDB 2bbs Chain B Binding Site BS01

Receptor Information
>2bbs Chain B (length=231) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTEVVMENVTAFWVLKDINFKIERGQLLAVAGSTGAGKTSLLMMIMGELE
PSEGKIKHSGRISFCSQNSWIMPGTIKENIIGVSYDEYRYRSVIKACQLE
EDISKFAEKDNIVLGGITLSGGQRARISLARAVYKDADLYLLDSPFGYLD
VLTEKEIFESCVCKLMANKTRILVTSKMEHLKKADKILILHEGSSYFYGT
FSELQNLRDSFDQFSAERRNSILTETLHRFS
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 chain2bbs Chain B Residue 4 [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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PDB2bbs Structure and dynamics of NBD1 from CFTR characterized using crystallography and hydrogen/deuterium exchange mass spectrometry.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		T465 Q493
Binding residue
(residue number reindexed from 1)		T39 Q67
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:2bbs, PDBe:2bbs, PDBj:2bbs
PDBsum2bbs
PubMed19944699
UniProtP13569|CFTR_HUMAN Cystic fibrosis transmembrane conductance regulator (Gene Name=CFTR)

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