Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	Structure of the ATP synthase from provides targets for treating tuberculosis.
Journal, issue, pages	Proc Natl Acad Sci U S A, Vol. 118, Issue 47, Year 2021
Publish date	Nov 23, 2021
Authors	Martin G Montgomery / Jessica Petri / Tobias E Spikes / John E Walker /
PubMed Abstract	The structure has been determined by electron cryomicroscopy of the adenosine triphosphate (ATP) synthase from This analysis confirms features in a prior description of the structure of the enzyme, ...The structure has been determined by electron cryomicroscopy of the adenosine triphosphate (ATP) synthase from This analysis confirms features in a prior description of the structure of the enzyme, but it also describes other highly significant attributes not recognized before that are crucial for understanding the mechanism and regulation of the mycobacterial enzyme. First, we resolved not only the three main states in the catalytic cycle described before but also eight substates that portray structural and mechanistic changes occurring during a 360° catalytic cycle. Second, a mechanism of auto-inhibition of ATP hydrolysis involves not only the engagement of the C-terminal region of an α-subunit in a loop in the γ-subunit, as proposed before, but also a "fail-safe" mechanism involving the b'-subunit in the peripheral stalk that enhances engagement. A third unreported characteristic is that the fused bδ-subunit contains a duplicated domain in its N-terminal region where the two copies of the domain participate in similar modes of attachment of the two of three N-terminal regions of the α-subunits. The auto-inhibitory plus the associated "fail-safe" mechanisms and the modes of attachment of the α-subunits provide targets for development of innovative antitubercular drugs. The structure also provides support for an observation made in the bovine ATP synthase that the transmembrane proton-motive force that provides the energy to drive the rotary mechanism is delivered directly and tangentially to the rotor via a Grotthuss water chain in a polar L-shaped tunnel.
External links	Proc Natl Acad Sci U S A / PubMed:34782468 / PubMed Central
Methods	EM (single particle)
Resolution	2.11 - 4.32 Å
Structure data	12377 7njk EMDB-12377, PDB-7njk: Mycobacterium smegmatis ATP synthase state 1a Method: EM (single particle) / Resolution: 2.52 Å EMDB-12378: Mycobacterium smegmatis ATP synthase F1 state 1a Method: EM (single particle) / Resolution: 2.52 Å EMDB-12379: Mycobacterium smegmatis ATP synthase Fo state 1a Method: EM (single particle) / Resolution: 3.37 Å EMDB-12380: Mycobacterium smegmatis ATP synthase Peripheral Stalk state 1a Method: EM (single particle) / Resolution: 3.4 Å EMDB-12381: Mycobacterium smegmatis ATP synthase b-delta state 1a Method: EM (single particle) / Resolution: 3.24 Å 12382 7njl EMDB-12382, PDB-7njl: Mycobacterium smegmatis ATP synthase state 1b Method: EM (single particle) / Resolution: 2.71 Å EMDB-12383: Mycobacterium smegmatis ATP synthase F1 state 1b Method: EM (single particle) / Resolution: 2.71 Å EMDB-12384: Mycobacterium smegmatis ATP synthase Fo state 1b Method: EM (single particle) / Resolution: 3.67 Å EMDB-12385: Mycobacterium smegmatis ATP synthase Peripheral Stalk state 1b Method: EM (single particle) / Resolution: 3.77 Å EMDB-12386: Mycobacterium smegmatis ATP synthase b-delta state 1b Method: EM (single particle) / Resolution: 3.84 Å 12387 7njm EMDB-12387, PDB-7njm: Mycobacterium smegmatis ATP synthase state 1c Method: EM (single particle) / Resolution: 2.84 Å EMDB-12388: Mycobacterium smegmatis ATP synthase F1 state 1c Method: EM (single particle) / Resolution: 2.84 Å EMDB-12389: Mycobacterium smegmatis ATP synthase Fo state 1c Method: EM (single particle) / Resolution: 3.67 Å EMDB-12390: Mycobacterium smegmatis ATP synthase Peripheral Stalk state 1c Method: EM (single particle) / Resolution: 3.87 Å EMDB-12391: Mycobacterium smegmatis ATP synthase b-delta state 1c Method: EM (single particle) / Resolution: 3.73 Å 12392 7njn EMDB-12392, PDB-7njn: Mycobacterium smegmatis ATP synthase state 1d Method: EM (single particle) / Resolution: 2.64 Å EMDB-12393: Mycobacterium smegmatis ATP synthase F1 state 1d Method: EM (single particle) / Resolution: 2.64 Å EMDB-12394: Mycobacterium smegmatis ATP synthase Fo state 1d Method: EM (single particle) / Resolution: 3.74 Å EMDB-12395: Mycobacterium smegmatis ATP synthase Peripheral Stalk state 1d Method: EM (single particle) / Resolution: 3.99 Å EMDB-12396: Mycobacterium smegmatis ATP synthase b-delta state 1d Method: EM (single particle) / Resolution: 3.61 Å 12397 7njo EMDB-12397, PDB-7njo: Mycobacterium smegmatis ATP synthase state 1e Method: EM (single particle) / Resolution: 2.92 Å EMDB-12398: Mycobacterium smegmatis ATP synthase F1 state 1e Method: EM (single particle) / Resolution: 2.92 Å EMDB-12399: Mycobacterium smegmatis ATP synthase Fo state 1e Method: EM (single particle) / Resolution: 3.92 Å EMDB-12400: Mycobacterium smegmatis ATP synthase Peripheral Stalk state 1e Method: EM (single particle) / Resolution: 4.15 Å EMDB-12401: Mycobacterium smegmatis ATP synthase b-delta state 1e Method: EM (single particle) / Resolution: 3.99 Å 12402 7njp EMDB-12402, PDB-7njp: Mycobacterium smegmatis ATP synthase state 2 Method: EM (single particle) / Resolution: 2.84 Å EMDB-12403: Mycobacterium smegmatis ATP synthase F1 state 2 Method: EM (single particle) / Resolution: 2.84 Å 12404 7nkp EMDB-12404, PDB-7nkp: Mycobacterium smegmatis ATP synthase Fo state 2 Method: EM (single particle) / Resolution: 4.06 Å EMDB-12405: Mycobacterium smegmatis ATP synthase Peripheral Stalk state 2 Method: EM (single particle) / Resolution: 4.06 Å 12406 7nkl EMDB-12406, PDB-7nkl: Mycobacterium smegmatis ATP synthase b-delta state 2 Method: EM (single particle) / Resolution: 3.67 Å 12407 7njq EMDB-12407, PDB-7njq: Mycobacterium smegmatis ATP synthase state 3a Method: EM (single particle) / Resolution: 2.67 Å EMDB-12408: Mycobacterium smegmatis ATP synthase F1 state 3a Method: EM (single particle) / Resolution: 2.67 Å EMDB-12409: Mycobacterium smegmatis ATP synthase Fo state 3a Method: EM (single particle) / Resolution: 3.4 Å EMDB-12410: Mycobacterium smegmatis ATP synthase Peripheral Stalk state 3a Method: EM (single particle) / Resolution: 3.43 Å EMDB-12411: Mycobacterium smegmatis ATP synthase b-delta state 3a Method: EM (single particle) / Resolution: 3.4 Å 12412 7njr EMDB-12412, PDB-7njr: Mycobacterium smegmatis ATP synthase state 3b Method: EM (single particle) / Resolution: 2.56 Å EMDB-12413: Mycobacterium smegmatis ATP synthase F1 state 3b Method: EM (single particle) / Resolution: 2.56 Å EMDB-12414: Mycobacterium smegmatis ATP synthase Fo state 3b Method: EM (single particle) / Resolution: 3.29 Å EMDB-12415: Mycobacterium smegmatis ATP synthase Peripheral Stalk state 3b Method: EM (single particle) / Resolution: 3.42 Å EMDB-12416: Mycobacterium smegmatis ATP synthase b-delta state 3b Method: EM (single particle) / Resolution: 3.22 Å 12417 7njs EMDB-12417, PDB-7njs: Mycobacterium smegmatis ATP synthase state 3c Method: EM (single particle) / Resolution: 2.46 Å EMDB-12418: Mycobacterium smegmatis ATP synthase F1 state 3c Method: EM (single particle) / Resolution: 2.46 Å EMDB-12419: Mycobacterium smegmatis ATP synthase Fo state 3c Method: EM (single particle) / Resolution: 3.22 Å EMDB-12420: Mycobacterium smegmatis ATP synthase Peripheral Stalk state 3c Method: EM (single particle) / Resolution: 3.29 Å EMDB-12421: Mycobacterium smegmatis ATP synthase b-delta state 3c Method: EM (single particle) / Resolution: 3.14 Å 12422 7njt EMDB-12422, PDB-7njt: Mycobacterium smegmatis ATP synthase Fo combined all classes Method: EM (single particle) / Resolution: 2.75 Å 12423 7nju EMDB-12423, PDB-7nju: Mycobacterium smegmatis ATP synthase Fo combined class 1 Method: EM (single particle) / Resolution: 3.74 Å 12424 7njv EMDB-12424, PDB-7njv: Mycobacterium smegmatis ATP synthase Fo combined class 2 Method: EM (single particle) / Resolution: 2.9 Å 12425 7njw EMDB-12425, PDB-7njw: Mycobacterium smegmatis ATP synthase Fo combined class 3 Method: EM (single particle) / Resolution: 3.67 Å 12426 7njx EMDB-12426, PDB-7njx: Mycobacterium smegmatis ATP synthase Fo combined class 4 Method: EM (single particle) / Resolution: 4.32 Å 12427 7njy EMDB-12427, PDB-7njy: Mycobacterium smegmatis ATP synthase Fo combined class 5 Method: EM (single particle) / Resolution: 2.94 Å 12432 7nk7 EMDB-12432, PDB-7nk7: Mycobacterium smegmatis ATP synthase F1 state 1 Method: EM (single particle) / Resolution: 2.11 Å 12434 7nk9 EMDB-12434, PDB-7nk9: Mycobacterium smegmatis ATP synthase Fo domain state 1 Method: EM (single particle) / Resolution: 2.9 Å 12436 7nkb EMDB-12436, PDB-7nkb: Mycobacterium smegmatis ATP synthase rotor state 1 Method: EM (single particle) / Resolution: 2.9 Å 12438 7nkd EMDB-12438, PDB-7nkd: Mycobacterium smegmatis ATP synthase b-delta state 1 Method: EM (single particle) / Resolution: 3.12 Å 12439 7nkh EMDB-12439, PDB-7nkh: Mycobacterium smegmatis ATP synthase F1 state 2 Method: EM (single particle) / Resolution: 2.78 Å 12441 7nkj EMDB-12441, PDB-7nkj: Mycobacterium smegmatis ATP synthase F1 state 3 Method: EM (single particle) / Resolution: 2.17 Å 12442 7nkk EMDB-12442, PDB-7nkk: Mycobacterium smegmatis ATP synthase rotor state 2 Method: EM (single particle) / Resolution: 3.6 Å 12444 7nkn EMDB-12444, PDB-7nkn: Mycobacterium smegmatis ATP synthase rotor state 3 Method: EM (single particle) / Resolution: 2.71 Å 12446 7nkq EMDB-12446, PDB-7nkq: Mycobacterium smegmatis ATP synthase b-delta state 3 Method: EM (single particle) / Resolution: 2.98 Å 12461 7nl9 EMDB-12461, PDB-7nl9: Mycobacterium smegmatis ATP synthase Fo state 3 Method: EM (single particle) / Resolution: 2.86 Å
Chemicals	ChemComp-ATP: ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying moleculeYM / Adenosine triphosphate ChemComp-MG: Unknown entry ChemComp-ADP: ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying moleculeYM / Adenosine diphosphate ChemComp-HOH: WATER / Water ChemComp-BQ1: Bedaquiline / medication, antibiotic*YM / Bedaquiline
Source	mycolicibacterium smegmatis mc2 155 (bacteria) mycolicibacterium smegmatis (strain atcc 700084 / mc(2)155) (bacteria) mycobacterium smegmatis (strain atcc 700084 / mc(2)155) (bacteria) Mycolicibacterium smegmatis (bacteria)
Keywords	HYDROLASE / complex / synthase