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 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 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)
- 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (744 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Water (18 Da, Ligand)
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha chimera (184 kDa, Protein from Homo sapiens)
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 [ DOI: doi:10.7554/eLife.84151 Pubmed: 36975198 ]
- 5-cyclopropyl-4-({1-[(1s)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-n-(methanesulfonyl)benzamide (543 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (744 Da, Ligand)
- Structure of vsd4-nav1.7-navpas channel chimera bound to the acylsulfonamide inhibitor gdc-0310 (Complex from Homo sapiens)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha chimera (184 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Beta-d-mannopyranose (180 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 [ DOI: doi:10.7554/eLife.84151 Pubmed: 36975198 ]
- 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)
- Vsd4-nav1.7-navpas channel chimera bound to the arylsulfonamide inhibitor gne-3565 (Complex from Homo sapiens)
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha chimera (184 kDa, Protein from Homo sapiens)
- 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 [ DOI: doi:10.7554/eLife.84151 Pubmed: 36975198 ]
- 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)
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha chimera (184 kDa, Protein from Homo sapiens)
- 5-chloro-4-(cyclopentylmethoxy)-n-(4-{[(1s,2s)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonyl)-2-fluorobenzamide (570 Da, Ligand)
- Beta-diguetoxin-dc1a (8 kDa, Protein from Diguetia canities)
- Vsd4-nav1.7-navpas channel chimera bound to the hybrid inhibitor gne-9296 (Complex from Homo sapiens)
CryoEM structure of Nav1.7 VSD2 (actived state) in complex with the gating modifier toxin ProTx2
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 6n4q
Q-score: 0.343
Xu H, Li T, Rohou A, Arthur CP, Tzakoniati F, Wong E, Estevez A, Kugel C, Franke Y, Chen J, Ciferri C, Hackos DH, Koth CM, Payandeh J
Cell (2019) 176 pp. 702- [ Pubmed: 30661758 DOI: doi:10.1016/j.cell.2018.12.018 ]
- Beta/omega-theraphotoxin-tp2a (3 kDa, Protein from Thrixopelma pruriens)
- Nav1.7 vsd2 in complex with protx2 and an anti-nav fab (245 kDa, Complex from Homo sapiens)
- Fab light chain (23 kDa, Protein from mouse)
- Nav1.7 vsd2-navab chimera (33 kDa, Protein from Arcobacter butzleri (strain RM4018))
- Fab heavy chain (24 kDa, Protein from Mus musculus)
CryoEM structure of Nav1.7 VSD2 (deactived state) in complex with the gating modifier toxin ProTx2
Resolution: 4.2 Å
EM Method: Single-particle
Fitted PDBs: 6n4r
Q-score: 0.345
Xu H, Li T, Rohou A, Arthur CP, Tzakoniati F, Wong E, Estevez A, Kugel C, Franke Y, Chen J, Ciferri C, Hackos DH, Koth CM, Payandeh J
Cell (2019) 176 pp. 702- [ DOI: doi:10.1016/j.cell.2018.12.018 Pubmed: 30661758 ]
- Nav1.7 vsd2 in complex with protx2 and an anti-nav fab (245 kDa, Complex from Homo sapiens)
- Fab light chain (23 kDa, Protein from mouse)
- Fab heavy chain (24 kDa, Protein from mouse)
- Nav1.7 vsd2-navab chimera (33 kDa, Protein from Arcobacter butzleri (strain RM4018))
- Beta/omega-theraphotoxin-tp2a (3 kDa, Protein from Thrixopelma pruriens)