Structure of human Nav1.7 in complex with bupivacaine
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 8i5b
Q-score: 0.507
Wu Q, Huang J, Fan X, Wang K, Jin X, Huang G, Li J, Pan X, Yan N
Nat Commun (2023) 14 pp. 3224-3224 [ DOI: doi:10.1038/s41467-023-38942-3 Pubmed: 37270609 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 1,2-dioleoyl-sn-glycero-3-phosphocholine (787 Da, Ligand)
- O-[(r)-{[(2r)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine (792 Da, Ligand)
- Sodium channel protein type 9 subunit alpha (230 kDa, Protein from Homo sapiens)
- 1-o-octadecyl-sn-glycero-3-phosphocholine (510 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Sodium channel subunit beta-1 (24 kDa, Protein from Homo sapiens)
- Sodium channel subunit beta-2 (24 kDa, Protein from Homo sapiens)
- Levobupivacaine (288 Da, Ligand)
- Human nav1.7 in complex with bupivacaine (250 kDa, Complex from Homo sapiens)
Structure of human Nav1.7 in complex with PF-05089771
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 8i5g
Q-score: 0.516
Wu Q, Huang J, Fan X, Wang K, Jin X, Huang G, Li J, Pan X, Yan N
Nat Commun (2023) 14 pp. 3224-3224 [ DOI: doi:10.1038/s41467-023-38942-3 Pubmed: 37270609 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 1,2-dioleoyl-sn-glycero-3-phosphocholine (787 Da, Ligand)
- 1-o-octadecyl-sn-glycero-3-phosphocholine (510 Da, Ligand)
- Pf-05089771 (500 Da, Ligand)
- Sodium channel subunit beta-1 (21 kDa, Protein from Homo sapiens)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Water (18 Da, Ligand)
- Sodium channel protein type 9 subunit alpha (226 kDa, Protein from Homo sapiens)
- Sodium channel subunit beta-2 (24 kDa, Protein from Homo sapiens)
- (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en (544 Da, Ligand)
- Human nav1.7 in complex with bupivacaine (250 kDa, Complex from Homo sapiens)
- Sodium ion (22 Da, Ligand)
Structure of human Nav1.7 in complex with Vinpocetine
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8i5x
Q-score: 0.477
Wu Q, Huang J, Fan X, Wang K, Jin X, Huang G, Li J, Pan X, Yan N
Nat Commun (2023) 14 pp. 3224-3224 [ DOI: doi:10.1038/s41467-023-38942-3 Pubmed: 37270609 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Sodium channel protein type 9 subunit alpha (230 kDa, Protein from Homo sapiens)
- (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en (544 Da, Ligand)
- 1-o-octadecyl-sn-glycero-3-phosphocholine (510 Da, Ligand)
- 1,2-dioleoyl-sn-glycero-3-phosphocholine (787 Da, Ligand)
- Human nav1.7 in complex with vinpocetine (250 kDa, Complex from Homo sapiens)
- Sodium channel subunit beta-1 (24 kDa, Protein from Homo sapiens)
- Vinpocetine (350 Da, Ligand)
- Sodium channel subunit beta-2 (24 kDa, Protein from Homo sapiens)
- O-[(r)-{[(2r)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine (792 Da, Ligand)
Structure of human Nav1.7 in complex with vixotrigine
Resolution: 2.6 Å
EM Method: Single-particle
Fitted PDBs: 8i5y
Q-score: 0.531
Wu Q, Huang J, Fan X, Wang K, Jin X, Huang G, Li J, Pan X, Yan N
Nat Commun (2023) 14 pp. 3224-3224 [ DOI: doi:10.1038/s41467-023-38942-3 Pubmed: 37270609 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 1,2-dioleoyl-sn-glycero-3-phosphocholine (787 Da, Ligand)
- O-[(r)-{[(2r)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine (792 Da, Ligand)
- 1-o-octadecyl-sn-glycero-3-phosphocholine (510 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Vixotrigine (314 Da, Ligand)
- Water (18 Da, Ligand)
- Sodium channel subunit beta-1 (24 kDa, Protein from Homo sapiens)
- Sodium channel subunit beta-2 (24 kDa, Protein from Homo sapiens)
- (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en (544 Da, Ligand)
- (2s,3r,4e)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate (421 Da, Ligand)
- Sodium channel protein type 9 subunit alpha (230 kDa, Protein from Homo sapiens)
- Human nav1.7 in complex with vixotrigine (250 kDa, Complex from Homo sapiens)
- Sodium ion (22 Da, Ligand)
Structure of human Nav1.7 in complex with Hardwickii acid
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8j4f
Q-score: 0.501
Wu Q, Huang J, Fan X, Wang K, Jin X, Huang G, Li J, Pan X, Yan N
Nat Commun (2023) 14 pp. 3224-3224 [ DOI: doi:10.1038/s41467-023-38942-3 Pubmed: 37270609 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Human nav1.7 in complex with hardwickii acid (250 kDa, Complex from Homo sapiens)
- 1,2-dioleoyl-sn-glycero-3-phosphocholine (787 Da, Ligand)
- 1-o-octadecyl-sn-glycero-3-phosphocholine (510 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- (4~{a}~{r},5~{s},6~{r},8~{a}~{r})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid (316 Da, Ligand)
- Sodium channel subunit beta-1 (24 kDa, Protein from Homo sapiens)
- (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en (544 Da, Ligand)
- Sodium channel protein type 9 subunit alpha (230 kDa, Protein from Homo sapiens)