CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with GABA and puerarin
Resolution: 2.4 Å
EM Method: Single-particle
Fitted PDBs: 9eqg
Q-score: 0.627
Lyu Q, Xue W, Liu R, Ma Q, Kasaragod VB, Sun S, Li Q, Chen Y, Yuan M, Yang Y, Zhang B, Nie A, Jia S, Shen C, Gao P, Rong W, Yu C, Bi Y, Zhang C, Nan F, Ning G, Rao Z, Yang X, Wang J, Wang W
Nature (2024) 634 pp. 936-943 [ Pubmed: 39261733 DOI: doi:10.1038/s41586-024-07929-5 ]
- Gamma-aminobutyric acid receptor subunit beta-3 (54 kDa, Protein from Homo sapiens)
- Palmitic acid (256 Da, Ligand)
- Hexadecane (226 Da, Ligand)
- (1r)-2-{[(s)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate (749 Da, Ligand)
- Water (18 Da, Ligand)
- Hexane (86 Da, Ligand)
- Gamma-amino-butanoic acid (103 Da, Ligand)
- Cryoem structure of human full-length alpha1beta3gamma2l gaba(a)r in complex with gaba and puerarin (250 kDa, Complex from Homo sapiens)
- Gamma-aminobutyric acid receptor subunit alpha-1 (52 kDa, Protein from Homo sapiens)
- Decane (142 Da, Ligand)
- Chloride ion (35 Da, Ligand)
- 1,2-dilauroyl-sn-glycero-3-phosphate (535 Da, Ligand)
- [(2r)-1-octadecanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8z)-icosa-5,8,11,14-tetraenoate (1 kDa, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Puerarin (416 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit gamma-2 (56 kDa, Protein from Homo sapiens)
GABA-A receptor a5 homomer - a5V3 - APO
Resolution: 3.24 Å
EM Method: Single-particle
Fitted PDBs: 8bej
Q-score: 0.463
Kasaragod VB, Malinauskas T, Wahid AA, Lengyel J, Knoflach F, Hardwick SW, Jones CF, Chen WN, Lucas X, El Omari K, Chirgadze DY, Aricescu AR, Cecere G, Hernandez MC, Miller PS
Nat Struct Mol Biol (2023) 30 pp. 1936-1946 [ Pubmed: 37903907 DOI: doi:10.1038/s41594-023-01133-1 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit alpha-5 (41 kDa, Protein from Homo sapiens)
- Gaba-a a5 homopentamer a5v3 (205 kDa, Complex from Homo sapiens)
GABA-A receptor a5 homomer - a5V3 - Basmisanil - HR
Resolution: 2.67 Å
EM Method: Single-particle
Fitted PDBs: 8bha
Q-score: 0.571
Kasaragod VB, Malinauskas T, Wahid AA, Lengyel J, Knoflach F, Hardwick SW, Jones CF, Chen WN, Lucas X, El Omari K, Chirgadze DY, Aricescu AR, Cecere G, Hernandez MC, Miller PS
Nat Struct Mol Biol (2023) 30 pp. 1936-1946 [ Pubmed: 37903907 DOI: doi:10.1038/s41594-023-01133-1 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit alpha-5 (41 kDa, Protein from Homo sapiens)
- Basmisanil (445 Da, Ligand)
- Gaba-a a5 subunit homopentamer complex called a5v3 (200 kDa, Complex from Homo sapiens)
GABA-A receptor a5 homomer - a5V3 - RO154513
Resolution: 2.54 Å
EM Method: Single-particle
Fitted PDBs: 8bhb
Q-score: 0.587
Kasaragod VB, Malinauskas T, Wahid AA, Lengyel J, Knoflach F, Hardwick SW, Jones CF, Chen WN, Lucas X, El Omari K, Chirgadze DY, Aricescu AR, Cecere G, Hernandez MC, Miller PS
Nat Struct Mol Biol (2023) 30 pp. 1936-1946 [ DOI: doi:10.1038/s41594-023-01133-1 Pubmed: 37903907 ]
- Ethyl 8-[(azanylidene-$l^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{h}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (326 Da, Ligand)
- Water (18 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit alpha-5 (41 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Gaba-a a5 homopentamer a5v3 (205 kDa, Complex from Homo sapiens)
GABA-A receptor a5 homomer - a5V3 - RO5211223
Resolution: 2.67 Å
EM Method: Single-particle
Fitted PDBs: 8bhi
Q-score: 0.557
Kasaragod VB, Malinauskas T, Wahid AA, Lengyel J, Knoflach F, Hardwick SW, Jones CF, Chen WN, Lucas X, El Omari K, Chirgadze DY, Aricescu AR, Cecere G, Hernandez MC, Miller PS
Nat Struct Mol Biol (2023) 30 pp. 1936-1946 [ Pubmed: 37903907 DOI: doi:10.1038/s41594-023-01133-1 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Gaba-a receptor a5 homomer - a5v3 - ro5211223 (205 kDa, Complex from Homo sapiens)
- Gamma-aminobutyric acid receptor subunit alpha-5 (41 kDa, Protein from Homo sapiens)
- [1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone (442 Da, Ligand)
GABA-A receptor a5 homomer - a5V3 - Diazepam
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 8bhk
Q-score: 0.495
Kasaragod VB, Malinauskas T, Wahid AA, Lengyel J, Knoflach F, Hardwick SW, Jones CF, Chen WN, Lucas X, El Omari K, Chirgadze DY, Aricescu AR, Cecere G, Hernandez MC, Miller PS
Nat Struct Mol Biol (2023) 30 pp. 1936-1946 [ Pubmed: 37903907 DOI: doi:10.1038/s41594-023-01133-1 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit alpha-5 (41 kDa, Protein from Homo sapiens)
- Gaba-a a5 subunit of homopentamer complex called a5v3 (205 kDa, Complex from Homo sapiens)
- 7-chloro-1-methyl-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one (284 Da, Ligand)
GABA-A receptor a5 homomer - a5V3 - DMCM
Resolution: 2.95 Å
EM Method: Single-particle
Fitted PDBs: 8bhm
Q-score: 0.485
Kasaragod VB, Malinauskas T, Wahid AA, Lengyel J, Knoflach F, Hardwick SW, Jones CF, Chen WN, Lucas X, El Omari K, Chirgadze DY, Aricescu AR, Cecere G, Hernandez MC, Miller PS
Nat Struct Mol Biol (2023) 30 pp. 1936-1946 [ Pubmed: 37903907 DOI: doi:10.1038/s41594-023-01133-1 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit alpha-5 (41 kDa, Protein from Homo sapiens)
- Gaba-a a5 subunit of homopentamer complex called a5v3 (205 kDa, Complex from Homo sapiens)
- Methyl 4-ethyl-6,7-dimethoxy-9h-pyrido[3,4-b]indole-3-carboxylate (314 Da, Ligand)
GABA-A receptor a5 homomer - a5V3 - L655708
Resolution: 2.93 Å
EM Method: Single-particle
Fitted PDBs: 8bho
Q-score: 0.493
Kasaragod VB, Malinauskas T, Wahid AA, Lengyel J, Knoflach F, Hardwick SW, Jones CF, Chen WN, Lucas X, El Omari K, Chirgadze DY, Aricescu AR, Cecere G, Hernandez MC, Miller PS
Nat Struct Mol Biol (2023) 30 pp. 1936-1946 [ Pubmed: 37903907 DOI: doi:10.1038/s41594-023-01133-1 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit alpha-5 (41 kDa, Protein from Homo sapiens)
- Gaba-a a5 subunit of homopentamer complex called a5v3 (205 kDa, Complex from Homo sapiens)
- Ethyl (7~{s})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate (341 Da, Ligand)
GABA-A receptor a5 homomer - a5V3 - RO7172670
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 8bhq
Q-score: 0.498
Kasaragod VB, Malinauskas T, Wahid AA, Lengyel J, Knoflach F, Hardwick SW, Jones CF, Chen WN, Lucas X, El Omari K, Chirgadze DY, Aricescu AR, Cecere G, Hernandez MC, Miller PS
Nat Struct Mol Biol (2023) 30 pp. 1936-1946 [ DOI: doi:10.1038/s41594-023-01133-1 Pubmed: 37903907 ]
- Gaba-a a5 subunit of homopentamer complex called a5v3 (205 kDa, Complex from Homo sapiens)
- 2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one (408 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit alpha-5 (41 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
GABA-A receptor a5 homomer - a5V3 - RO7015738
Resolution: 3.38 Å
EM Method: Single-particle
Fitted PDBs: 8bhr
Q-score: 0.512
Kasaragod VB, Malinauskas T, Wahid AA, Lengyel J, Knoflach F, Hardwick SW, Jones CF, Chen WN, Lucas X, El Omari K, Chirgadze DY, Aricescu AR, Cecere G, Hernandez MC, Miller PS
Nat Struct Mol Biol (2023) 30 pp. 1936-1946 [ Pubmed: 37903907 DOI: doi:10.1038/s41594-023-01133-1 ]
- Gamma-aminobutyric acid receptor subunit alpha-5 (41 kDa, Protein from Homo sapiens)
- Gaba-a a5 subunit of homopentamer complex called a5v3 (Complex from Homo sapiens)
- 6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{n}-[(2~{s})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide (410 Da, Ligand)
- Gaba-a a5 subunit of homopentamer complex called a5v3 (205 kDa, Complex from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)