Structure of PDB 8g0a Chain B

Receptor sequence

>8g0aB (length=507) Species: 246196 (Mycolicibacterium smegmatis MC2 155)

AADIEGAIEDYVSSFEEIGTVIDAGDGIAHVEGLPSVMTQELLEFPGGVL
GVALNLDEHSVGAVILGEFEKIEEGQQVKRTGEVLSVPVGDAFLGRVVNP
LGQPIDGQGDIAAETRRALELQAPSVVQRQSVSEPLQTGIKAIDAMTPIG
RGQRQLIIGDRKTGKTAVCVDTILNQREAWLTGDPKQQVRCVYVAIGQKG
TTIASVKRALEEGGAMEYTTIVAAPASDAAGFKWLAPYTGSAIGQHWMYN
GKHVLIVFDDLSKQADAYRAISLLLRRPPGREAFPGDVFYLHSRLLERCA
KLSDELGGGSMTGLPIIETKANDISAFIPTNVISITDGQCFLESDLFNQG
VRPAINVGVSVSRVGGAAQIKAMKEVAGSLRLDLSQYRELEAFAAFASDL
DAASKAQLDRGARLVELLKQPQYSPLAVEEQVVAIFLGTQGHLDSVPVED
VQRFESELLEHVKASHSDIFDGIRETKKLSEEAEEKLVSVINEFKKGFQA
SDGSSVV

3D structure

• PDB: 8g0a Mechanism of mycobacterial ATP synthase inhibition by squaramides and second generation diarylquinolines.
• Chain: B
• Resolution: 2.9 Å

Enzymatic activity

• Enzyme Commision number: 7.1.2.2: H(+)-transporting two-sector ATPase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ATP	B	K175 T176 G177 K178 T179 A180 R365 Q435	K162 T163 G164 K165 T166 A167 R352 Q422
BS02	MG	B	T179 D272	T166 D259

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0032559 adenyl ribonucleotide binding
• GO:0043531 ADP binding
• GO:0046933 proton-transporting ATP synthase activity, rotational mechanism
• GO:0046961 proton-transporting ATPase activity, rotational mechanism

Biological Process

• GO:0006754 ATP biosynthetic process
• GO:0015986 proton motive force-driven ATP synthesis
• GO:0046034 ATP metabolic process
• GO:1902600 proton transmembrane transport

Cellular Component

• GO:0005886 plasma membrane
• GO:0045259 proton-transporting ATP synthase complex
• GO:0045261 proton-transporting ATP synthase complex, catalytic core F(1)

External links

• PDB: RCSB:8g0a, PDBe:8g0a, PDBj:8g0a
• PDBsum: 8g0a
• PubMed: 37377118
• UniProt: A0R202|ATPA_MYCS2 ATP synthase subunit alpha (Gene Name=atpA)