Cryo-EM structure of ATP8B1-CDC50A in E1-ATP conformation
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 8ox4
Q-score: 0.461
Dieudonne T, Kummerer F, Laursen MJ, Stock C, Flygaard RK, Khalid S, Lenoir G, Lyons JA, Lindorff-Larsen K, Nissen P
Nat Commun (2023) 14 pp. 7492-7492 [ Pubmed: 37980352 DOI: doi:10.1038/s41467-023-42828-9 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Atp8b1-cdc50a complex (185 kDa, Complex from Homo sapiens)
- Phospholipid-transporting atpase ic (136 kDa, Protein from Homo sapiens)
- Phosphomethylphosphonic acid adenylate ester (505 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Cell cycle control protein 50a (41 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
Cryo-EM structure of ATP8B1-CDC50A in E1P-ADP conformation
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8ox5
Q-score: 0.389
Dieudonne T, Kummerer F, Laursen MJ, Stock C, Flygaard RK, Khalid S, Lenoir G, Lyons JA, Lindorff-Larsen K, Nissen P
Nat Commun (2023) 14 pp. 7492-7492 [ Pubmed: 37980352 DOI: doi:10.1038/s41467-023-42828-9 ]
- Adenosine-5'-diphosphate (427 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Atp8b1-cdc50a complex (185 kDa, Complex from Homo sapiens)
- Phospholipid-transporting atpase ic (136 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Cell cycle control protein 50a (41 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Tetrafluoroaluminate ion (102 Da, Ligand)
Cryo-EM structure of ATP8B1-CDC50A in E1P conformation
Resolution: 2.39 Å
EM Method: Single-particle
Fitted PDBs: 8ox6
Q-score: 0.509
Dieudonne T, Kummerer F, Laursen MJ, Stock C, Flygaard RK, Khalid S, Lenoir G, Lyons JA, Lindorff-Larsen K, Nissen P
Nat Commun (2023) 14 pp. 7492-7492 [ Pubmed: 37980352 DOI: doi:10.1038/s41467-023-42828-9 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Atp8b1-cdc50a complex (185 kDa, Complex from Homo sapiens)
- Phospholipid-transporting atpase ic (136 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Cell cycle control protein 50a (41 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Tetrafluoroaluminate ion (102 Da, Ligand)
Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited "closed" conformation
Resolution: 2.56 Å
EM Method: Single-particle
Fitted PDBs: 8ox7
Q-score: 0.579
Dieudonne T, Kummerer F, Laursen MJ, Stock C, Flygaard RK, Khalid S, Lenoir G, Lyons JA, Lindorff-Larsen K, Nissen P
Nat Commun (2023) 14 pp. 7492-7492 [ Pubmed: 37980352 DOI: doi:10.1038/s41467-023-42828-9 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Atp8b1-cdc50a complex (185 kDa, Complex from Homo sapiens)
- Phospholipid-transporting atpase ic (143 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Cell cycle control protein 50a (41 kDa, Protein from Homo sapiens)
- (2r)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate (826 Da, Ligand)
- Water (18 Da, Ligand)
Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited "open" conformation
Resolution: 2.98 Å
EM Method: Single-particle
Fitted PDBs: 8ox8
Q-score: 0.538
Dieudonne T, Kummerer F, Laursen MJ, Stock C, Flygaard RK, Khalid S, Lenoir G, Lyons JA, Lindorff-Larsen K, Nissen P
Nat Commun (2023) 14 pp. 7492-7492 [ Pubmed: 37980352 DOI: doi:10.1038/s41467-023-42828-9 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Atp8b1-cdc50a complex (185 kDa, Complex from Homo sapiens)
- Phospholipid-transporting atpase ic (143 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Cell cycle control protein 50a (41 kDa, Protein from Homo sapiens)
- (2r)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate (826 Da, Ligand)
- Water (18 Da, Ligand)
Cryo-EM structure of ATP8B1-CDC50A in E2P active conformation with bound PC
Resolution: 2.72 Å
EM Method: Single-particle
Fitted PDBs: 8ox9
Q-score: 0.519
Dieudonne T, Kummerer F, Laursen MJ, Stock C, Flygaard RK, Khalid S, Lenoir G, Lyons JA, Lindorff-Larsen K, Nissen P
Nat Commun (2023) 14 pp. 7492-7492 [ Pubmed: 37980352 DOI: doi:10.1038/s41467-023-42828-9 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Atp8b1-cdc50a complex (185 kDa, Complex from Homo sapiens)
- Phospholipid-transporting atpase ic (136 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Cell cycle control protein 50a (41 kDa, Protein from Homo sapiens)
- Beryllium trifluoride ion (66 Da, Ligand)
- (2r)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate (826 Da, Ligand)
- Water (18 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PS
Resolution: 2.76 Å
EM Method: Single-particle
Fitted PDBs: 8oxa
Q-score: 0.546
Dieudonne T, Kummerer F, Laursen MJ, Stock C, Flygaard RK, Khalid S, Lenoir G, Lyons JA, Lindorff-Larsen K, Nissen P
Nat Commun (2023) 14 pp. 7492-7492 [ Pubmed: 37980352 DOI: doi:10.1038/s41467-023-42828-9 ]
- Oxido(dioxo)vanadium (98 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Atp8b1-cdc50a complex (185 kDa, Complex from Homo sapiens)
- (2~{s})-2-azanyl-3-[[(2~{r})-3-hexadecanoyloxy-2-[(~{z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid (762 Da, Ligand)
- Phospholipid-transporting atpase ic (136 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Cell cycle control protein 50a (41 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PC
Resolution: 2.99 Å
EM Method: Single-particle
Fitted PDBs: 8oxb
Q-score: 0.508
Dieudonne T, Kummerer F, Laursen MJ, Stock C, Flygaard RK, Khalid S, Lenoir G, Lyons JA, Lindorff-Larsen K, Nissen P
Nat Commun (2023) 14 pp. 7492-7492 [ Pubmed: 37980352 DOI: doi:10.1038/s41467-023-42828-9 ]
- Oxido(dioxo)vanadium (98 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Atp8b1-cdc50a complex (185 kDa, Complex from Homo sapiens)
- Phospholipid-transporting atpase ic (136 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Cell cycle control protein 50a (41 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PI
Resolution: 2.58 Å
EM Method: Single-particle
Fitted PDBs: 8oxc
Q-score: 0.542
Dieudonne T, Kummerer F, Laursen MJ, Stock C, Flygaard RK, Khalid S, Lenoir G, Lyons JA, Lindorff-Larsen K, Nissen P
Nat Commun (2023) 14 pp. 7492-7492 [ Pubmed: 37980352 DOI: doi:10.1038/s41467-023-42828-9 ]
- Oxido(dioxo)vanadium (98 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Atp8b1-cdc50a complex (185 kDa, Complex from Homo sapiens)
- 1,2-diacyl-sn-glycero-3-phosphoinositol (836 Da, Ligand)
- Phospholipid-transporting atpase ic (136 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Cell cycle control protein 50a (41 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited state
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 7py4
Q-score: 0.523
Dieudonne T, Herrera SA, Laursen MJ, Lejeune M, Stock C, Slimani K, Jaxel C, Lyons JA, Montigny C, Pomorski TG, Nissen P, Lenoir G
eLife (2022) 11 [ Pubmed: 35416773 DOI: doi:10.7554/eLife.75272 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Cell cycle control protein 50a (37 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Atp8b1-cdc50a (186 kDa, Complex from Homo sapiens)
- Beryllium trifluoride ion (66 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Phospholipid-transporting atpase ic (144 kDa, Protein from Homo sapiens)