ABCB1 L335C mutant (mABCB1) in the inward facing state bound to AAC
Resolution: 3.8 Å
EM Method: Single-particle
Fitted PDBs: 8pee
Q-score: 0.379
Gewering T, Waghray D, Parey K, Jung H, Tran NNB, Zapata J, Zhao P, Chen H, Januliene D, Hummer G, Urbatsch I, Moeller A, Zhang Q
eLife (2024) 12 [ Pubmed: 38259172 DOI: doi:10.7554/eLife.90174 ]
- Cholesterol hemisuccinate (486 Da, Ligand)
- Atp-dependent translocase abcb1 (146 kDa, Protein from Mus musculus)
- (4~{s},11~{s},18~{s})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (494 Da, Ligand)
- (4s,11s,18s)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (692 Da, Ligand)
- Abcb1 (140 MDa, Complex from Mus musculus)
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 8pok
Q-score: 0.501
Kock Z, Schnelle K, Persechino M, Umbach S, Schihada H, Januliene D, Parey K, Pockes S, Kolb P, Dotsch V, Moller A, Hilger D, Bernhard F
Nat Commun (2024) 15 pp. 1831-1831 [ Pubmed: 38418462 DOI: doi:10.1038/s41467-024-46096-z ]
- Histamine h2 receptor (41 kDa, Protein from Homo sapiens)
- Histamine h2 receptor (Complex from Homo sapiens)
- Nanobody35 (Complex from Lama glama)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- Histamine (111 Da, Ligand)
- H2 receptor coupled to heterotrimeric gs protein (Complex)
- Nanobody35 (15 kDa, Protein from Lama glama)
- Isoform gnas-2 of guanine nucleotide-binding protein g(s) subunit alpha isoforms short (44 kDa, Protein from Homo sapiens)
- Isoform gnas-2 of guanine nucleotide-binding protein g(s) subunit alpha isoforms short, guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 and guanine nucleotide-binding protein subunit gamma (fragment) (Complex from Homo sapiens)
The ABCB1 L335C mutant (mABCB1) in the Apo state
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8avy
Q-score: 0.54
Gewering T, Waghray D, Parey K, Jung H, Tran NNB, Zapata J, Zhao P, Chen H, Januliene D, Hummer G, Urbatsch I, Moeller A, Zhang Q
eLife (2024) 12 [ Pubmed: 38259172 DOI: doi:10.7554/eLife.90174 ]
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Water (18 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Atp-dependent translocase abcb1 (146 kDa, Protein from Mus musculus)
- Abcb1 (140 MDa, Complex from Mus musculus)
The ABCB1 L335C mutant (mABCB1) in the outward facing state
Resolution: 2.6 Å
EM Method: Single-particle
Fitted PDBs: 7zk4
Q-score: 0.569
Gewering T, Waghray D, Parey K, Jung H, Tran NNB, Zapata J, Zhao P, Chen H, Januliene D, Hummer G, Urbatsch I, Moeller A, Zhang Q
eLife (2024) 12 [ Pubmed: 38259172 DOI: doi:10.7554/eLife.90174 ]
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Water (18 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Atp-dependent translocase abcb1 (146 kDa, Protein from Mus musculus)
- Abcb1 (140 MDa, Complex from Mus musculus)
ABCB1 L335C mutant (mABCB1) in the outward facing state bound to AAC
Resolution: 2.6 Å
EM Method: Single-particle
Fitted PDBs: 7zk5
Q-score: 0.571
Gewering T, Waghray D, Parey K, Jung H, Tran NNB, Zapata J, Zhao P, Chen H, Januliene D, Hummer G, Urbatsch I, Moeller A, Zhang Q
eLife (2024) 12 [ Pubmed: 38259172 DOI: doi:10.7554/eLife.90174 ]
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Water (18 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Atp-dependent translocase abcb1 (146 kDa, Protein from Mus musculus)
- (4~{s},11~{s},18~{s})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (494 Da, Ligand)
- Abcb1 (140 MDa, Complex from Mus musculus)
ABCB1 L335C mutant (mABCB1) in the outward facing state bound to 2 molecules of AAC
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 7zk6
Q-score: 0.488
Gewering T, Waghray D, Parey K, Jung H, Tran NNB, Zapata J, Zhao P, Chen H, Januliene D, Hummer G, Urbatsch I, Moeller A, Zhang Q
eLife (2024) 12 [ Pubmed: 38259172 DOI: doi:10.7554/eLife.90174 ]
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Water (18 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Atp-dependent translocase abcb1 (146 kDa, Protein from Mus musculus)
- (4~{s},11~{s},18~{s})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (494 Da, Ligand)
- (4s,11s,18s)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (692 Da, Ligand)
- Abcb1 (140 MDa, Complex from Mus musculus)
ABCB1 L335C mutant (mABCB1) in the inward facing state bound to AAC
Resolution: 3.2 Å
EM Method: Single-particle
Fitted PDBs: 7zk7
Q-score: 0.378
Gewering T, Waghray D, Parey K, Januliene D, Urbatsch I, Moeller A, Zhang Q
To Be Published
- Cholesterol hemisuccinate (486 Da, Ligand)
- Atp-dependent translocase abcb1 (146 kDa, Protein from Mus musculus)
- (4~{s},11~{s},18~{s})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (494 Da, Ligand)
- (4s,11s,18s)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (692 Da, Ligand)
- Abcb1 (140 MDa, Complex from Mus musculus)
ABCB1 L971C mutant (mABCB1) in the outward facing state bound to AAC
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 7zk8
Q-score: 0.511
Gewering T, Waghray D, Parey K, Jung H, Tran NNB, Zapata J, Zhao P, Chen H, Januliene D, Hummer G, Urbatsch I, Moeller A, Zhang Q
eLife (2024) 12 [ Pubmed: 38259172 DOI: doi:10.7554/eLife.90174 ]
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Water (18 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Atp-dependent translocase abcb1 (140 kDa, Protein from Mus musculus)
- (4~{s},11~{s},18~{s})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (494 Da, Ligand)
- Abcb1 (140 MDa, Complex from Mus musculus)
ABCB1 L971C mutant (mABCB1) in the inward facing state
Resolution: 4.3 Å
EM Method: Single-particle
Fitted PDBs: 7zk9
Q-score: 0.282
Gewering T, Waghray D, Parey K, Jung H, Tran NNB, Zapata J, Zhao P, Chen H, Januliene D, Hummer G, Urbatsch I, Moeller A, Zhang Q
eLife (2024) 12 [ Pubmed: 38259172 DOI: doi:10.7554/eLife.90174 ]
- (4~{s},11~{s},18~{s})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (494 Da, Ligand)
- Atp-dependent translocase abcb1 (139 kDa, Protein from Mus musculus)
- Abcb1 (140 MDa, Complex from Mus musculus)
ABCB1 V978C mutant (mABCB1) in the outward facing state bound to AAC
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 7zka
Q-score: 0.533
Gewering T, Waghray D, Parey K, Jung H, Tran NNB, Zapata J, Zhao P, Chen H, Januliene D, Hummer G, Urbatsch I, Moeller A, Zhang Q
eLife (2024) 12 [ Pubmed: 38259172 DOI: doi:10.7554/eLife.90174 ]
- Lauryl maltose neopentyl glycol (1 kDa, Ligand)
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Atp-dependent translocase abcb1 (146 kDa, Protein from Mus musculus)
- Water (18 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- (4~{s},11~{s},18~{s})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (494 Da, Ligand)
- Abcb1 (140 MDa, Complex from Mus musculus)