Structure of PDB 7njs Chain B

Receptor sequence

>7njsB (length=503) Species: 246196 (Mycolicibacterium smegmatis MC2 155)

TISAADIEGAIEDYVSSEEIGTVIDAGDGIAHVEGLPSVMTQELLEFPGG
VLGVALNLDEHSVGAVILGEFEKIEEGQQVKRTGEVLSVPVGDAFLGRVV
NPLGQPIDGQGDIAAETRRALELQAPSVVQRQSVSEPLQTGIKAIDAMTP
IGRGQRQLIIGDRKTGKTAVCVDTILNQREAWLTGDPKQQVRCVYVAIGQ
KGTTIASVKRALEEGGAMEYTTIVAAPASDAAGFKWLAPYTGSAIGQHWM
YNGKHVLIVFDDLSKQADAYRAISLLLRRPPGREAFPGDVFYLHSRLLER
CAKLSDELGGGSMTGLPIIETKANDISAFIPTNVISITDGQCFLESDLFN
QGVRPAINVGVSVSRVGGAAQIKAMKEVAGSLRLDLSQYRELEAFADAAS
KAQLDRGARLVELLKQPQYSPLAVEEQVVAIFLGTQGHLDSVPVEDVQRF
ESELLEHVKASHSDIFDGIRETKKLSEEAEEKLVSVINEFKKGFQASDGS
SVV

3D structure

• PDB: 7njs Structure of the ATP synthase from Mycobacterium smegmatis provides targets for treating tuberculosis.
• Chain: B
• Resolution: 2.46 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	R174 K175 T176 G177 K178 T179 A180 F360 R365 Q435	R163 K164 T165 G166 K167 T168 A169 F349 R354 Q418
BS02	ATP	B	S347 R376	S336 R365

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:7njs, PDBe:7njs, PDBj:7njs
• PDBsum: 7njs
• PubMed: 34782468
• UniProt: A0R202|ATPA_MYCS2 ATP synthase subunit alpha (Gene Name=atpA)