Cryo-EM structure of SQ31f-bound Mycobacterium smegmatis ATP synthase FO region
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8g07
Q-score: 0.571
Courbon GM, Palme PR, Mann L, Richter A, Imming P, Rubinstein JL
EMBO J (2023) 42 pp. e113687-e113687 [ DOI: doi:10.15252/embj.2023113687 Pubmed: 37377118 ]
- Atp synthase subunit b (17 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit b-delta (47 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit c (8 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- 3-[4-(morpholin-4-yl)phenyl]-4-{[(pyridin-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione (349 Da, Ligand)
- Sq31f-bound mycobacterium smegmatis atp synthase fo region (Complex from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit a (27 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
Cryo-EM structure of SQ31f-bound Mycobacterium smegmatis ATP synthase rotational state 1
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8g08
Q-score: 0.485
Courbon GM, Palme PR, Mann L, Richter A, Imming P, Rubinstein JL
EMBO J (2023) 42 pp. e113687-e113687 [ DOI: doi:10.15252/embj.2023113687 Pubmed: 37377118 ]
- Phosphate ion (94 Da, Ligand)
- Atp synthase subunit b (17 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit b-delta (47 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit alpha (58 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit c (8 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- 3-[4-(morpholin-4-yl)phenyl]-4-{[(pyridin-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione (349 Da, Ligand)
- Atp synthase gamma chain (33 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Sq31f-bound mycobacterium smegmatis atp synthase rotational state 1 (Complex from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit beta (51 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Atp synthase epsilon chain (13 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit a (27 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
Cryo-EM structure of SQ31f-bound Mycobacterium smegmatis ATP synthase rotational state 2
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 8g09
Q-score: 0.462
Courbon GM, Palme PR, Mann L, Richter A, Imming P, Rubinstein JL
EMBO J (2023) 42 pp. e113687-e113687 [ DOI: doi:10.15252/embj.2023113687 Pubmed: 37377118 ]
- Phosphate ion (94 Da, Ligand)
- Atp synthase subunit b (17 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Sq31f-bound mycobacterium smegmatis atp synthase rotational state 2 (Complex from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit alpha (58 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit b-delta (47 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit c (8 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- 3-[4-(morpholin-4-yl)phenyl]-4-{[(pyridin-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione (349 Da, Ligand)
- Atp synthase gamma chain (33 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit beta (51 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Atp synthase epsilon chain (13 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit a (27 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
Cryo-EM structure of SQ31f-bound Mycobacterium smegmatis ATP synthase rotational state 3
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8g0a
Q-score: 0.458
Courbon GM, Palme PR, Mann L, Richter A, Imming P, Rubinstein JL
EMBO J (2023) 42 pp. e113687-e113687 [ DOI: doi:10.15252/embj.2023113687 Pubmed: 37377118 ]
- Phosphate ion (94 Da, Ligand)
- Atp synthase subunit b (17 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit b-delta (47 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit alpha (58 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit c (8 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- 3-[4-(morpholin-4-yl)phenyl]-4-{[(pyridin-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione (349 Da, Ligand)
- Atp synthase gamma chain (33 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Sq31f-bound mycobacterium smegmatis atp synthase rotational state 3 (Complex from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit beta (51 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Atp synthase epsilon chain (13 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit a (27 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
Cryo-EM structure of TBAJ-876-bound Mycobacterium smegmatis ATP synthase FO region
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8g0b
Q-score: 0.578
Courbon GM, Palme PR, Mann L, Richter A, Imming P, Rubinstein JL
EMBO J (2023) 42 pp. e113687-e113687 [ DOI: doi:10.15252/embj.2023113687 Pubmed: 37377118 ]
- Atp synthase subunit b (17 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit b-delta (47 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit c (8 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- (1r,2s)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol (657 Da, Ligand)
- Tbaj-876-bound mycobacterium smegmatis atp synthase fo region (Complex from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit a (27 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
Cryo-EM structure of TBAJ-876-bound Mycobacterium smegmatis ATP synthase rotational state 1
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8g0c
Q-score: 0.485
Courbon GM, Palme PR, Mann L, Richter A, Imming P, Rubinstein JL
EMBO J (2023) 42 pp. e113687-e113687 [ DOI: doi:10.15252/embj.2023113687 Pubmed: 37377118 ]
- Phosphate ion (94 Da, Ligand)
- Atp synthase subunit b (17 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit b-delta (47 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit alpha (58 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit c (8 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- (1r,2s)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol (657 Da, Ligand)
- Atp synthase gamma chain (33 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit beta (51 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Tbaj-876-bound mycobacterium smegmatis atp synthase rotational state 1 (Complex from Mycolicibacterium smegmatis MC2 155)
- Atp synthase epsilon chain (13 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit a (27 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
Cryo-EM structure of TBAJ-876-bound Mycobacterium smegmatis ATP synthase rotational state 2
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8g0d
Q-score: 0.458
Courbon GM, Palme PR, Mann L, Richter A, Imming P, Rubinstein JL
EMBO J (2023) 42 pp. e113687-e113687 [ DOI: doi:10.15252/embj.2023113687 Pubmed: 37377118 ]
- Phosphate ion (94 Da, Ligand)
- Atp synthase subunit b (17 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit b-delta (47 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Tbaj-876-bound mycobacterium smegmatis atp synthase rotational state 2 (Complex from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit alpha (58 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit c (8 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- (1r,2s)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol (657 Da, Ligand)
- Atp synthase gamma chain (33 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit beta (51 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Atp synthase epsilon chain (13 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit a (27 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
Cryo-EM structure of TBAJ-876-bound Mycobacterium smegmatis ATP synthase rotational state 3
Resolution: 2.6 Å
EM Method: Single-particle
Fitted PDBs: 8g0e
Q-score: 0.477
Courbon GM, Palme PR, Mann L, Richter A, Imming P, Rubinstein JL
EMBO J (2023) 42 pp. e113687-e113687 [ DOI: doi:10.15252/embj.2023113687 Pubmed: 37377118 ]
- Tbaj-876-bound mycobacterium smegmatis atp synthase rotational state 3 (Complex from Mycolicibacterium smegmatis MC2 155)
- Phosphate ion (94 Da, Ligand)
- Atp synthase subunit b (17 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit b-delta (47 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit alpha (58 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit c (8 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- (1r,2s)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol (657 Da, Ligand)
- Atp synthase gamma chain (33 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit beta (51 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Atp synthase epsilon chain (13 kDa, Protein from Mycolicibacterium smegmatis MC2 155)
- Atp synthase subunit a (27 kDa, Protein from Mycolicibacterium smegmatis MC2 155)