Structure of PDB 8igw Chain L Binding Site BS02

Receptor Information
>8igw Chain L (length=452) Species: 768486 (Enterococcus hirae ATCC 9790) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEYRTIKEVVGPLMAVEKVSGVKYEELIEVRMQNGEIRRGQVLEVQEDKA
MVQIFEGTSGINLKNSSVRFLGHPLQLGVSEDMIGRVFDGLGRPKDNGPE
ILPEKYLDINGEVINPIARDYPDEFIQTGISAIDHLNTLVRGQKLPVFGP
PGAGKSALAAQIARQATVLDSSDDFAVVFAAIGITFEEAEFFMEDFRQTG
AIDRSVMFMNLANDPAIERIATPRMALTAAEYLAYEKGMHVLVIMEDMTN
YAEALREISAARREVPGRRGYPGYLYTNLATLFERAGRIRGLKGSVTQIP
ILTMPEDDKTHPIPDLTGYITEGQIILTRELYKSGISPPIDVLPSLSRLK
DKGTGAGKTREDHAATMNQLFAAYAQGKQAKELAVVLGESALSDIDKIYA
KFAERFENEYVNQGFYTNRTITETLDLGWELLAMLPRTELKRIKDDLLDK
YL
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 chain8igw Chain L Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8igw Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
Resolution4.2 Å
Binding residue
(original residue number in PDB)		S158 E248
Binding residue
(residue number reindexed from 1)		S156 E246
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:0046933 proton-transporting ATP synthase activity, rotational mechanism
Biological Process
GO:0006814 sodium ion transport
GO:0042777 proton motive force-driven plasma membrane ATP synthesis
GO:0046034 ATP metabolic process
GO:1902600 proton transmembrane transport

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8igw, PDBe:8igw, PDBj:8igw
PDBsum8igw
PubMed37414880
UniProtQ08637|NTPB_ENTHA V-type sodium ATPase subunit B (Gene Name=ntpB)

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