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 [ DOI: doi:10.7554/eLife.90174 Pubmed: 38259172 ]
- Water (18 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Atp-dependent translocase abcb1 (146 kDa, Protein from Mus musculus)
- Abcb1 (140 MDa, Complex 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 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 [ DOI: doi:10.7554/eLife.90174 Pubmed: 38259172 ]
- Water (18 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)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Atp-dependent translocase abcb1 (146 kDa, Protein from Mus musculus)
- Abcb1 (140 MDa, Complex 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 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
- (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)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Atp-dependent translocase abcb1 (146 kDa, Protein from Mus musculus)
- Abcb1 (140 MDa, Complex 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 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 [ DOI: doi:10.7554/eLife.90174 Pubmed: 38259172 ]
- Water (18 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Abcb1 (140 MDa, Complex 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)
- Atp-dependent translocase abcb1 (140 kDa, Protein 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 [ DOI: doi:10.7554/eLife.90174 Pubmed: 38259172 ]
- Abcb1 (140 MDa, Complex 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)
- Atp-dependent translocase abcb1 (139 kDa, Protein 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 [ DOI: doi:10.7554/eLife.90174 Pubmed: 38259172 ]
- Water (18 Da, Ligand)
- Lauryl maltose neopentyl glycol (1 kDa, Ligand)
- Atp-dependent translocase abcb1 (146 kDa, Protein from Mus musculus)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Abcb1 (140 MDa, Complex 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 V978C mutant (mABCB1) in the inward facing state
Resolution: 4.7 Å
EM Method: Single-particle
Fitted PDBs: 7zkb
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 [ DOI: doi:10.7554/eLife.90174 Pubmed: 38259172 ]
- Atp-dependent translocase abcb1 (146 kDa, Protein from Mus musculus)
- Abcb1 (140 MDa, Complex 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)
PSI-LHCI-LHCII-Lhcb9 supercomplex of Physcomitrella patens
Resolution: 2.68 Å
EM Method: Single-particle
Fitted PDBs: 7xqp
Q-score: 0.536
Zhang S, Tang K, Yan Q, Li X, Shen L, Wang W, He YK, Kuang T, Han G, Shen JR, Zhang X
Nat Plants (2023) 9 pp. 832-846 [ Pubmed: 37095225 DOI: doi:10.1038/s41477-023-01401-4 ]
- Phylloquinone (450 Da, Ligand)
- 1,2-distearoyl-monogalactosyl-diglyceride (787 Da, Ligand)
- Psak (8 kDa, Protein from Physcomitrium patens)
- Chlorophyll a-b binding protein, chloroplastic (20 kDa, Protein from Physcomitrium patens)
- Chlorophyll a-b binding protein, chloroplastic (24 kDa, Protein from Physcomitrium patens)
- Beta-carotene (536 Da, Ligand)
- Photosystem i p700 chlorophyll a apoprotein a2 (82 kDa, Protein from Physcomitrium patens)
- Psao (9 kDa, Protein from Physcomitrium patens)
- (1r,3r)-6-{(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1s,4r,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene}-1,5,5-trimethylcyclohexane-1,3-diol (600 Da, Ligand)
- Chlorophyll a-b binding protein, chloroplastic (23 kDa, Protein from Physcomitrium patens)
- Chlorophyll a-b binding protein, chloroplastic (24 kDa, Protein from Physcomitrium patens)
- Predicted protein psad (15 kDa, Protein from Physcomitrium patens)
- Chlorophyll b (907 Da, Ligand)
- Psi-f (17 kDa, Protein from Physcomitrium patens)
- 1,2-dipalmitoyl-phosphatidyl-glycerole (722 Da, Ligand)
- Photosystem i reaction center subunit viii (3 kDa, Protein from Physcomitrium patens)
- Photosystem i p700 chlorophyll a apoprotein a1 (82 kDa, Protein from Physcomitrium patens)
- Psi-g (10 kDa, Protein from Physcomitrium patens)
- (3s,5r,6s,3's,5'r,6's)-5,6,5',6'-diepoxy-5,6,5',6'- tetrahydro-beta,beta-carotene-3,3'-diol (600 Da, Ligand)
- Photosystem i reaction center subunit xii (3 kDa, Protein from Physcomitrium patens)
- Chlorophyll a-b binding protein, chloroplastic (22 kDa, Protein from Physcomitrium patens)
- Chlorophyll a-b binding protein, chloroplastic (23 kDa, Protein from Physcomitrium patens)
- Photosystem i reaction center subunit ix (4 kDa, Protein from Physcomitrium patens)
- Digalactosyl diacyl glycerol (dgdg) (949 Da, Ligand)
- Psi-lhci-lhcii-lhcb9 supercomplex of physcomitrella patens (Complex from Physcomitrium patens)
- Psi subunit v (17 kDa, Protein from Physcomitrium patens)
- (3r,3'r,6s)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol (568 Da, Ligand)
- Photosystem i iron-sulfur center (8 kDa, Protein from Physcomitrium patens)
- Dodecyl-alpha-d-maltoside (510 Da, Ligand)
- Psah photosystem i reaction center subunit (10 kDa, Protein from Physcomitrium patens)
- Iron/sulfur cluster (351 Da, Ligand)
- Chlorophyll a (893 Da, Ligand)
- Psae (6 kDa, Protein from Physcomitrium patens)
Cryo-EM structure of the PSI-LHCI-Lhcp supercomplex from Ostreococcus tauri
Resolution: 2.94 Å
EM Method: Single-particle
Fitted PDBs: 7yca
Q-score: 0.514
Ishii A, Shan J, Sheng X, Kim E, Watanabe A, Yokono M, Noda C, Song C, Murata K, Liu Z, Minagawa J
eLife (2023) 12 [ Pubmed: 36951548 DOI: doi:10.7554/eLife.84488 ]
- Psag (14 kDa, Protein from Ostreococcus tauri)
- Phylloquinone (450 Da, Ligand)
- Chlorophyll a-b binding protein, chloroplastic (26 kDa, Protein from Ostreococcus tauri)
- 1,2-distearoyl-monogalactosyl-diglyceride (787 Da, Ligand)
- Photosystem i reaction center subunit ix (4 kDa, Protein from Ostreococcus tauri)
- Chlorophyll a-b binding protein, chloroplastic (29 kDa, Protein from Ostreococcus tauri)
- Beta-carotene (536 Da, Ligand)
- Chlorophyll a-b binding protein, chloroplastic (25 kDa, Protein from Ostreococcus tauri)
- Photosystem i psan, reaction centre subunit n (14 kDa, Protein from Ostreococcus tauri)
- Photosystem i psah, reaction centre subunit vi (17 kDa, Protein from Ostreococcus tauri)
- Psi subunit v (21 kDa, Protein from Ostreococcus tauri)
- (1r,3r)-6-{(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1s,4r,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene}-1,5,5-trimethylcyclohexane-1,3-diol (600 Da, Ligand)
- Lhca6 (26 kDa, Protein from Ostreococcus tauri)
- Photosystem i reaction center subunit ii, chloroplastic (20 kDa, Protein from Ostreococcus tauri)
- Photosystem i reaction center subunit viii (3 kDa, Protein from Ostreococcus tauri)
- Chlorophyll b (907 Da, Ligand)
- Chlorophyll c2 (608 Da, Ligand)
- 1,2-dipalmitoyl-phosphatidyl-glycerole (722 Da, Ligand)
- Photosystem i p700 chlorophyll a apoprotein a2 (81 kDa, Protein from Ostreococcus tauri)
- Water (18 Da, Ligand)
- Photosystem i-light-harvesting complex i-prasinophyte-specific lhc protein (psi-lhci-lhcp) supercomplex (Complex from Ostreococcus tauri)
- Psao (15 kDa, Protein from Ostreococcus tauri)
- Chlorophyll a-b binding protein, chloroplastic (24 kDa, Protein from Ostreococcus tauri)
- (3s,5r,6s,3's,5'r,6's)-5,6,5',6'-diepoxy-5,6,5',6'- tetrahydro-beta,beta-carotene-3,3'-diol (600 Da, Ligand)
- Photosystem i reaction center subunit iii (24 kDa, Protein from Ostreococcus tauri)
- Chlorophyll a isomer (893 Da, Ligand)
- Photosystem i reaction centre subunit iv (11 kDa, Protein from Ostreococcus tauri)
- Photosystem i p700 chlorophyll a apoprotein a1 (83 kDa, Protein from Ostreococcus tauri)
- 1,2-di-o-acyl-3-o-[6-deoxy-6-sulfo-alpha-d-glucopyranosyl]-sn-glycerol (795 Da, Ligand)
- Photosystem i reaction center subunit xii (3 kDa, Protein from Ostreococcus tauri)
- (1~{s})-3,5,5-trimethyl-4-[(3~{e},5~{e},7~{e},9~{e},11~{e},13~{e},15~{e},17~{e})-3,7,12,16-tetramethyl-18-[(1~{r},4~{r})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol (570 Da, Ligand)
- Chlorophyll a-b binding protein, chloroplastic (23 kDa, Protein from Ostreococcus tauri)
- (3~{e},5~{e},7~{e},9~{e},11~{e},13~{e},15~{e},17~{e})-1-[(1~{s},4~{s})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{r},4~{r})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one (600 Da, Ligand)
- Digalactosyl diacyl glycerol (dgdg) (949 Da, Ligand)
- Chlorophyll a-b binding protein, chloroplastic (24 kDa, Protein from Ostreococcus tauri)
- Lhca1 (24 kDa, Protein from Ostreococcus tauri)
- Photosystem i iron-sulfur center (8 kDa, Protein from Ostreococcus tauri)
- Photosystem i psag/psak protein (13 kDa, Protein from Ostreococcus tauri)
- Iron/sulfur cluster (351 Da, Ligand)
- Chlorophyll a (893 Da, Ligand)
Cryo-EM structure of the Lhcp complex from Ostreococcus tauri
Resolution: 2.94 Å
EM Method: Single-particle
Fitted PDBs: 8hg3
Q-score: 0.479
Ishii A, Shan J, Sheng X, Kim E, Watanabe A, Yokono M, Noda C, Song C, Murata K, Liu Z, Minagawa J
eLife (2023) 12 [ Pubmed: 36951548 DOI: doi:10.7554/eLife.84488 ]
- (1r,3r)-6-{(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1s,4r,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene}-1,5,5-trimethylcyclohexane-1,3-diol (600 Da, Ligand)
- Chlorophyll a-b binding protein, chloroplastic (24 kDa, Protein from Ostreococcus tauri)
- Chlorophyll b (907 Da, Ligand)
- Chlorophyll c2 (608 Da, Ligand)
- Prasinophyte-specific lhc protein (lhcp) complex (Complex from Ostreococcus tauri)
- Chlorophyll a (893 Da, Ligand)
- (1~{s})-3,5,5-trimethyl-4-[(3~{e},5~{e},7~{e},9~{e},11~{e},13~{e},15~{e},17~{e})-3,7,12,16-tetramethyl-18-[(1~{r},4~{r})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol (570 Da, Ligand)
- (3~{e},5~{e},7~{e},9~{e},11~{e},13~{e},15~{e},17~{e})-1-[(1~{s},4~{s})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{r},4~{r})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one (600 Da, Ligand)