mycobacterial efflux pump, apo state
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8k1m
Q-score: 0.574
Wang Y, Gao S, Wu F, Gong Y, Mu N, Wei C, Wu C, Wang J, Yan N, Yang H, Zhang Y, Liu J, Wang Z, Yang X, Lam SM, Shui G, Li S, Da L, Guddat LW, Rao Z, Zhang L
PNAS (2024) 121 pp. e2403421121-e2403421121 [ DOI: doi:10.1073/pnas.2403421121 Pubmed: 39226350 ]
- Ternary complex of an abc transporter rv1217c-1218c (120 kDa, Complex from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
- Multidrug efflux system atp-binding protein rv1218c (31 kDa, Protein from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
- (1s)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate (746 Da, Ligand)
- Cardiolipin (1 kDa, Ligand)
- Multidrug efflux system permease protein rv1217c (56 kDa, Protein from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
mycobacterial efflux pump, substrate-bound state
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8k1n
Q-score: 0.541
Wang Y, Gao S, Wu F, Gong Y, Mu N, Wei C, Wu C, Wang J, Yan N, Yang H, Zhang Y, Liu J, Wang Z, Yang X, Lam SM, Shui G, Li S, Da L, Guddat LW, Rao Z, Zhang L
PNAS (2024) 121 pp. e2403421121-e2403421121 [ DOI: doi:10.1073/pnas.2403421121 Pubmed: 39226350 ]
- Rifampicin (822 Da, Ligand)
- Ternary complex of an abc transporter rv1217c-1218c (120 kDa, Complex from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
- Cardiolipin (1 kDa, Ligand)
- Multidrug efflux system permease protein rv1217c (56 kDa, Protein from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
- Multidrug efflux system atp-binding protein rv1218c (33 kDa, Protein from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
mycobacterial efflux pump, AMPPNP bound state
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8k1o
Q-score: 0.597
Wang Y, Gao S, Wu F, Gong Y, Mu N, Wei C, Wu C, Wang J, Yan N, Yang H, Zhang Y, Liu J, Wang Z, Yang X, Lam SM, Shui G, Li S, Da L, Guddat LW, Rao Z, Zhang L
PNAS (2024) 121 pp. e2403421121-e2403421121 [ DOI: doi:10.1073/pnas.2403421121 Pubmed: 39226350 ]
- Multidrug efflux system atp-binding protein rv1218c (33 kDa, Protein from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
- Magnesium ion (24 Da, Ligand)
- Ternary complex of an abc transporter rv1217c-1218c (120 kDa, Complex from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
- Cardiolipin (1 kDa, Ligand)
- Multidrug efflux system permease protein rv1217c (56 kDa, Protein from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
- Phosphoaminophosphonic acid-adenylate ester (506 Da, Ligand)
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8e56
Q-score: 0.54
Yao X, Gao S, Wang J, Li Z, Huang J, Wang Y, Wang Z, Chen J, Fan X, Wang W, Jin X, Pan X, Yu Y, Lagrutta A, Yan N
Cell (2022) 185 pp. 4801-4810.e13 [ Pubmed: 36417914 DOI: doi:10.1016/j.cell.2022.10.024 ]
- (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone (645 Da, Ligand)
- 1,2-distearoyl-sn-glycerophosphoethanolamine (748 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Voltage-dependent calcium channel gamma-1 subunit (25 kDa, Protein from Oryctolagus cuniculus)
- Voltage-dependent calcium channel subunit alpha-2/delta-1 (125 kDa, Protein from Oryctolagus cuniculus)
- Cav1.1 (Complex from Oryctolagus cuniculus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Voltage-dependent l-type calcium channel subunit alpha-1s (212 kDa, Protein from Oryctolagus cuniculus)
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8e57
Q-score: 0.534
Yao X, Gao S, Wang J, Li Z, Huang J, Wang Y, Wang Z, Chen J, Fan X, Wang W, Jin X, Pan X, Yu Y, Lagrutta A, Yan N
Cell (2022) 185 pp. 4801-4810.e13 [ Pubmed: 36417914 DOI: doi:10.1016/j.cell.2022.10.024 ]
- (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone (645 Da, Ligand)
- Propan-2-yl (2s)-2-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-ethynyl-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) (535 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Voltage-dependent calcium channel gamma-1 subunit (25 kDa, Protein from Oryctolagus cuniculus)
- Voltage-dependent calcium channel subunit alpha-2/delta-1 (125 kDa, Protein from Oryctolagus cuniculus)
- Cav1.1 (Complex from Oryctolagus cuniculus)
- Voltage-dependent l-type calcium channel subunit alpha-1s (212 kDa, Protein from Oryctolagus cuniculus)
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8e58
Q-score: 0.533
Yao X, Gao S, Wang J, Li Z, Huang J, Wang Y, Wang Z, Chen J, Fan X, Wang W, Jin X, Pan X, Yu Y, Lagrutta A, Yan N
Cell (2022) 185 pp. 4801-4810.e13 [ Pubmed: 36417914 DOI: doi:10.1016/j.cell.2022.10.024 ]
- (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone (645 Da, Ligand)
- Propan-2-yl (2s)-2-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-ethynyl-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) (535 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Voltage-dependent calcium channel gamma-1 subunit (25 kDa, Protein from Oryctolagus cuniculus)
- Voltage-dependent calcium channel subunit alpha-2/delta-1 (125 kDa, Protein from Oryctolagus cuniculus)
- Cav1.1 (Complex from Oryctolagus cuniculus)
- Voltage-dependent l-type calcium channel subunit alpha-1s (212 kDa, Protein from Oryctolagus cuniculus)
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 8e59
Q-score: 0.446
Yao X, Gao S, Wang J, Li Z, Huang J, Wang Y, Wang Z, Chen J, Fan X, Wang W, Jin X, Pan X, Yu Y, Lagrutta A, Yan N
Cell (2022) 185 pp. 4801-4810.e13 [ Pubmed: 36417914 DOI: doi:10.1016/j.cell.2022.10.024 ]
- (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone (645 Da, Ligand)
- 1,2-distearoyl-sn-glycerophosphoethanolamine (748 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Cav1.3 (Complex from Homo sapiens)
- Voltage-dependent l-type calcium channel subunit beta-3 (54 kDa, Protein from Homo sapiens)
- Voltage-dependent l-type calcium channel subunit alpha-1d (245 kDa, Protein from Homo sapiens)
- Voltage-dependent calcium channel subunit alpha-2/delta-1 (124 kDa, Protein from Homo sapiens)
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 8e5a
Q-score: 0.423
Yao X, Gao S, Wang J, Li Z, Huang J, Wang Y, Wang Z, Chen J, Fan X, Wang W, Jin X, Pan X, Yu Y, Lagrutta A, Yan N
Cell (2022) 185 pp. 4801-4810.e13 [ Pubmed: 36417914 DOI: doi:10.1016/j.cell.2022.10.024 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Cav1.3 (Complex from Homo sapiens)
- Voltage-dependent l-type calcium channel subunit beta-3 (54 kDa, Protein from Homo sapiens)
- Voltage-dependent l-type calcium channel subunit alpha-1d (245 kDa, Protein from Homo sapiens)
- Voltage-dependent calcium channel subunit alpha-2/delta-1 (124 kDa, Protein from Homo sapiens)
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 8e5b
Q-score: 0.467
Yao X, Gao S, Wang J, Li Z, Huang J, Wang Y, Wang Z, Chen J, Fan X, Wang W, Jin X, Pan X, Yu Y, Lagrutta A, Yan N
Cell (2022) 185 pp. 4801-4810.e13 [ Pubmed: 36417914 DOI: doi:10.1016/j.cell.2022.10.024 ]
- (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone (645 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Cav1.3 (Complex from Homo sapiens)
- Voltage-dependent l-type calcium channel subunit beta-3 (54 kDa, Protein from Homo sapiens)
- Sofosbuvir (529 Da, Ligand)
- Voltage-dependent l-type calcium channel subunit alpha-1d (245 kDa, Protein from Homo sapiens)
- Voltage-dependent calcium channel subunit alpha-2/delta-1 (124 kDa, Protein from Homo sapiens)