Structure of PDB 7nkj Chain B

Receptor sequence

>7nkjB (length=476) Species: 246196 (Mycolicibacterium smegmatis MC2 155)

EEIGTVIDAGDGIAHVEGLPSVMTQELLEFPGGVLGVALNLDEHSVGAVI
LGEFEKIEEGQQVKRTGEVLSVPVGDAFLGRVVNPLGQPIDGQGDIAAET
RRALELQAPSVVQRQSVSEPLQTGIKAIDAMTPIGRGQRQLIIGDRKTGK
TAVCVDTILNQREAWLTGDPKQQVRCVYVAIGQKGTTIASVKRALEEGGA
MEYTTIVAAPASDAAGFKWLAPYTGSAIGQHWMYNGKHVLIVFDDLSKQA
DAYRAISLLLRRPPGREAFPGDVFYLHSRLLERCAKLSDELGGGSMTGLP
IIETKANDISAFIPTNVISITDGQCFLESDLFNQGVRPAINVGVSVSRVG
GAAQIKAMKEVAGSLRLDLSQYRELEAFDAASKAQLDRGARLVELLKQPQ
YSPLAVEEQVVAIFLGTQGHLDSVPVEDVQRFESELLEHVKASHSDIFDG
IRETKKLSEEAEEKLVSVINEFKKGF

3D structure

• PDB: 7nkj Structure of the ATP synthase from Mycobacterium smegmatis provides targets for treating tuberculosis.
• Chain: B
• Resolution: 2.17 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 G177 K178 T179 A180 F360 R365 Q435	R146 K147 G149 K150 T151 A152 F332 R337 Q400
BS02	ATP	B	S347 R376	S319 R348

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