Structure of PDB 6rag Chain A Binding Site BS01

Receptor Information
>6rag Chain A (length=586) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRALFARILRYVWPYRLQVVLALLFLLVVTLAAAATPLFFKWAIDLALVP
TEPRPLAERFHLLLWISLGFLAVRAVHFAATYGETYLIQWVGQRVLFDLR
SDLFAKLMRLHPGFYDRNPVGRLMTRVTSDVDAINQFITGGLVGVIADLF
TLVGLLGFMLFLSPKLTLVVLLVAPVLLAVTTWVRLGMRSAYREMRLRLA
RVNAALQENLSGVETIQLFVKEREREEKFDRLNRDLFRAWVEIIRWFALF
FPVVGFLGDFAVASLVYYGGGEVVRGAVSLGLLVAFVDYTRQLFQPLQDL
SDKFNLFQGAMASAERIFGVLDTEEELKDPEDPTPIRGFRGEVEFRDVWL
AYTPKGVEPTEKDWVLKGVSFRVRPGEKVALVGATGAGKTSVVSLIARFY
DPQRGCVFLDGVDVRRYRQEELRRHVGIVLQEPFLFSGTVLDNLRLFDPS
VPPERVEEVARFLGAHEFILRLPKGYQTVLGERGAGLSTGEKQLLALVRA
LLASPDILLILDEATASVDSETEKRLQEALYKAMEGRTSLIIAHRLSTIR
HVDRILVFRKGRLVEEGSHEELLAKGGYYAALYRLQ
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 chain6rag Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6rag Conformation space of a heterodimeric ABC exporter under turnover conditions.
Resolution4.2 Å
Binding residue
(original residue number in PDB)		T400 D522
Binding residue
(residue number reindexed from 1)		T390 D512
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6rag, PDBe:6rag, PDBj:6rag
PDBsum6rag
PubMed31316210
UniProtQ72J05

[Back to BioLiP]