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 [ DOI: doi:10.7554/eLife.84151 Pubmed: 36975198 ]
- Water (18 Da, Ligand)
- Cholesterol hemisuccinate (486 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)
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha chimera (184 kDa, Protein from Homo sapiens)
- Vsd4-nav1.7-navpas channel chimera bound to the hybrid inhibitor gne-1305 (Complex from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 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 [ DOI: doi:10.7554/eLife.84151 Pubmed: 36975198 ]
- Water (18 Da, Ligand)
- Cholesterol hemisuccinate (486 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)
- 5-cyclopropyl-4-({1-[(1s)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-n-(methanesulfonyl)benzamide (543 Da, Ligand)
- Beta-d-mannopyranose (180 Da, Ligand)
- 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)
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 [ DOI: doi:10.1126/science.aau2596 Pubmed: 30049784 ]
- Complex of voltage-gated sodium channel navpas from american cockroach periplaneta americana and dc1a (200 kDa, Complex)
- Voltage-gated sodium channel navpas from american cockroach periplaneta americana (Complex from Periplaneta americana)
- Mu-diguetoxin-dc1a (6 kDa, Protein from Diguetia canities)
- Sodium ion (22 Da, Ligand)
- Sodium channel protein pafpc1 (183 kDa, Protein from Periplaneta americana)
- Dc1a (Complex from Diguetia canities)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
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 [ DOI: doi:10.1126/science.aau2596 Pubmed: 30049784 ]
- Water (18 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)
- 1,2-diacyl-sn-glycero-3-phosphocholine (790 Da, Ligand)
- Voltage-gated sodium channel navpas from american cockroach periplaneta americana (Complex from Periplaneta americana)
- Mu-diguetoxin-dc1a (6 kDa, Protein from Diguetia canities)
- Complex of voltage-gated sodium channel navpas from american cockroach periplaneta americana bound with saxitoxin and dc1a (200 kDa, Complex)
- Sodium channel protein pafpc1 (183 kDa, Protein from Periplaneta americana)
- Dc1a (Complex from Diguetia canities)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
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 [ DOI: doi:10.1126/science.aau2596 Pubmed: 30049784 ]
- Water (18 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)
- Voltage-gated sodium channel navpas from american cockroach periplaneta americana (Complex from Periplaneta americana)
- Mu-diguetoxin-dc1a (6 kDa, Protein from Diguetia canities)
- Sodium ion (22 Da, Ligand)
- Complex of voltage-gated sodium channel navpas from american cockroach periplaneta americana bound with saxitoxin and dc1a (200 kDa, Complex)
- Sodium channel protein pafpc1 (183 kDa, Protein from Periplaneta americana)
- Dc1a (Complex from Diguetia canities)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)