Phulera S, Dickson CJ, Schwalen CJ, Khoshouei M, Cassell SJ, Sun Y, Condos T, Whicher J, Weihofen WA
Structure (2024) 32 pp. 1611-1620.e4 [ DOI: doi:10.1016/j.str.2024.07.021 Pubmed: 39181123 ]
- Sodium channel protein pafpc1 (183 kDa, Protein from Periplaneta americana)
- Navpas-lqhait (Complex from Periplaneta americana)
- Alpha-insect toxin lqhait (7 kDa, Protein from Leiurus quinquestriatus hebraeus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-1305
Resolution: 2.2 Å
EM Method: Single-particle
Fitted PDBs: 8f0p
Q-score: 0.776
Kschonsak M, Jao CC, Arthur CP, Rohou AL, Bergeron P, Ortwine DF, McKerrall SJ, Hackos DH, Deng L, Chen J, Li T, Dragovich PS, Volgraf M, Wright MR, Payandeh J, Ciferri C, Tellis JC
eLife (2023) 12 [ Pubmed: 36975198 DOI: doi:10.7554/eLife.84151 ]
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha chimera (184 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (744 Da, Ligand)
- N-[6-(cyclopentylmethoxy)-1,3-benzothiazol-2-yl]-4-{[(1s,2s)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonamide (546 Da, Ligand)
- Vsd4-nav1.7-navpas channel chimera bound to the hybrid inhibitor gne-1305 (Complex from Homo sapiens)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Water (18 Da, Ligand)
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the acylsulfonamide inhibitor GDC-0310
Resolution: 2.5 Å
EM Method: Single-particle
Fitted PDBs: 8f0q
Q-score: 0.739
Kschonsak M, Jao CC, Arthur CP, Rohou AL, Bergeron P, Ortwine DF, McKerrall SJ, Hackos DH, Deng L, Chen J, Li T, Dragovich PS, Volgraf M, Wright MR, Payandeh J, Ciferri C, Tellis JC
eLife (2023) 12 [ Pubmed: 36975198 DOI: doi:10.7554/eLife.84151 ]
- Beta-d-mannopyranose (180 Da, Ligand)
- Structure of vsd4-nav1.7-navpas channel chimera bound to the acylsulfonamide inhibitor gdc-0310 (Complex from Homo sapiens)
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha chimera (184 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (744 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Water (18 Da, Ligand)
- 5-cyclopropyl-4-({1-[(1s)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-n-(methanesulfonyl)benzamide (543 Da, Ligand)
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the arylsulfonamide inhibitor GNE-3565
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8f0r
Q-score: 0.556
Kschonsak M, Jao CC, Arthur CP, Rohou AL, Bergeron P, Ortwine DF, McKerrall SJ, Hackos DH, Deng L, Chen J, Li T, Dragovich PS, Volgraf M, Wright MR, Payandeh J, Ciferri C, Tellis JC
eLife (2023) 12 [ Pubmed: 36975198 DOI: doi:10.7554/eLife.84151 ]
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha chimera (184 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (744 Da, Ligand)
- Vsd4-nav1.7-navpas channel chimera bound to the arylsulfonamide inhibitor gne-3565 (Complex from Homo sapiens)
- Cholesterol hemisuccinate (486 Da, Ligand)
- 5-chloro-4-({(1s,2s,4s)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl}amino)-2-fluoro-n-(pyrimidin-4-yl)benzene-1-sulfonamide (572 Da, Ligand)
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-9296
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 8f0s
Q-score: 0.614
Kschonsak M, Jao CC, Arthur CP, Rohou AL, Bergeron P, Ortwine DF, McKerrall SJ, Hackos DH, Deng L, Chen J, Li T, Dragovich PS, Volgraf M, Wright MR, Payandeh J, Ciferri C, Tellis JC
eLife (2023) 12 [ Pubmed: 36975198 DOI: doi:10.7554/eLife.84151 ]
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha chimera (184 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (744 Da, Ligand)
- Beta-diguetoxin-dc1a (8 kDa, Protein from Diguetia canities)
- Cholesterol hemisuccinate (486 Da, Ligand)
- 5-chloro-4-(cyclopentylmethoxy)-n-(4-{[(1s,2s)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonyl)-2-fluorobenzamide (570 Da, Ligand)
- Vsd4-nav1.7-navpas channel chimera bound to the hybrid inhibitor gne-9296 (Complex from Homo sapiens)
Cryo-EM structure of a human-cockroach hybrid Nav channel.
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 6nt3
Q-score: 0.468
Clairfeuille T, Rohou A, Payandeh J
Science (2019) [ ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Digitonin (1 kDa, Ligand)
- Sodium channel protein type 9 subunit alpha, sodium channel protein pafpc1, chimeric construct (178 kDa, Protein from Periplaneta americana)
- 1,2-dipalmitoyl-phosphatidyl-glycerole (722 Da, Ligand)
- (7e,21r,24s)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9z,12e)-octadeca-9,12-dienoate (742 Da, Ligand)
- Navpas-vsd4 (155 kDa, Complex from Periplaneta americana)
- Cholesterol hemisuccinate (486 Da, Ligand)
Cryo-EM structure of a human-cockroach hybrid Nav channel bound to alpha-scorpion toxin AaH2.
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 6nt4
Q-score: 0.444
Clairfeuille T, Cloake A, Infield DT, Llongueras JP, Arthur CP, Li ZR, Jian Y, Martin-Eauclaire MF, Bougis PE, Ciferri C, Ahern CA, Bosmans F, Hackos DH, Rohou A, Payandeh J
Science (2019) 363 [ Pubmed: 30733386 DOI: doi:10.1126/science.aav8573 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Digitonin (1 kDa, Ligand)
- Alpha-mammal toxin aah2 (7 kDa, Protein from Androctonus australis)
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha,sodium channel protein pafpc1 (178 kDa, Protein from Periplaneta americana)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Navpas-vsd4-aah2 (155 kDa, Complex from Periplaneta americana)
- 1,2-dipalmitoyl-phosphatidyl-glycerole (722 Da, Ligand)
- (7e,21r,24s)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9z,12e)-octadeca-9,12-dienoate (742 Da, Ligand)
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 6a90
Q-score: 0.56
Shen H, Li Z, Jiang Y, Pan X, Wu J, Cristofori-Armstrong B, Smith JJ, Chin YKY, Lei J, Zhou Q, King GF, Yan N
Science (2018) 362 [ Pubmed: 30049784 DOI: doi:10.1126/science.aau2596 ]
- Complex of voltage-gated sodium channel navpas from american cockroach periplaneta americana and dc1a (200 kDa, Complex)
- Sodium channel protein pafpc1 (183 kDa, Protein from Periplaneta americana)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Sodium ion (22 Da, Ligand)
- Voltage-gated sodium channel navpas from american cockroach periplaneta americana (Complex from Periplaneta americana)
- Dc1a (Complex from Diguetia canities)
- Mu-diguetoxin-dc1a (6 kDa, Protein from Diguetia canities)
Resolution: 3.2 Å
EM Method: Single-particle
Fitted PDBs: 6a91
Q-score: 0.515
Shen H, Li Z, Jiang Y, Pan X, Wu J, Cristofori-Armstrong B, Smith JJ, Chin YKY, Lei J, Zhou Q, King GF, Yan N
Science (2018) 362 [ Pubmed: 30049784 DOI: doi:10.1126/science.aau2596 ]
- Sodium channel protein pafpc1 (183 kDa, Protein from Periplaneta americana)
- Complex of voltage-gated sodium channel navpas from american cockroach periplaneta americana bound with saxitoxin and dc1a (200 kDa, Complex)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Water (18 Da, Ligand)
- 1,2-diacyl-sn-glycero-3-phosphocholine (790 Da, Ligand)
- [(3as,4r,10as)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3h,8h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate (299 Da, Ligand)
- Voltage-gated sodium channel navpas from american cockroach periplaneta americana (Complex from Periplaneta americana)
- Dc1a (Complex from Diguetia canities)
- Mu-diguetoxin-dc1a (6 kDa, Protein from Diguetia canities)
Resolution: 2.6 Å
EM Method: Single-particle
Fitted PDBs: 6a95
Q-score: 0.565
Shen H, Li Z, Jiang Y, Pan X, Wu J, Cristofori-Armstrong B, Smith JJ, Chin YKY, Lei J, Zhou Q, King GF, Yan N
Science (2018) 362 [ Pubmed: 30049784 DOI: doi:10.1126/science.aau2596 ]
- Sodium channel protein pafpc1 (183 kDa, Protein from Periplaneta americana)
- Complex of voltage-gated sodium channel navpas from american cockroach periplaneta americana bound with saxitoxin and dc1a (200 kDa, Complex)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- (1r,5r,6r,7r,9s,11s,12s,13s,14s)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name) (319 Da, Ligand)
- Water (18 Da, Ligand)
- Sodium ion (22 Da, Ligand)
- Voltage-gated sodium channel navpas from american cockroach periplaneta americana (Complex from Periplaneta americana)
- Dc1a (Complex from Diguetia canities)
- Mu-diguetoxin-dc1a (6 kDa, Protein from Diguetia canities)