6HUP: Human full-length alpha1beta3gamma2L GABA(A)R

CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with diazepam (Valium), GABA and megabody Mb38. Determined by electron microscopy at 3.58 Å resolution. Released 2 Jan 2019.

Method
Electron microscopy
Resolution
3.58 Å
Organisms
Bos taurus, Homo sapiens, Lama glama
Chains
6
Atoms
15,265
Mol. weight
337.55 kDa
Ligands
PIO, ABU, DZP
Released
2 Jan 2019

Explore 6HUP in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6HUP contains 59 α-helices and 88 β-strands across 6 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 12 helices, 17 β-strands

ElementResiduesLengthSheet
α-helix14-229
β-strand39-4351
β-strand44-4962
β-strand59-6792
β-strand69-7133
α-helix73-753
β-strand83-8533
α-helix88-925
β-strand99-10134
β-strand10412
β-strand108-10922
β-strand118-12253
β-strand126-13053
β-strand131-13882
β-strand150-159104
β-strand167-17151
α-helix175-1784
β-strand180-18562
β-strand191-19554
β-strand198-20474
β-strand209-221134
α-helix224-2263
α-helix227-2315
α-helix232-24312
α-helix244-2463
α-helix252-27423
α-helix285-30925
α-helix387-3904
α-helix391-41424
Chain B: 13 helices, 15 β-strands
ElementResiduesLengthSheet
α-helix10-2011
α-helix351
β-strand36-51165
β-strand56-68135
α-helix70-723
β-strand81-8335
α-helix85-873
β-strand96-9836
β-strand10115
β-strand105-10625
β-strand114-11855
β-strand123-135135
β-strand147-15046
β-strand153-15646
β-strand164-16855
β-strand175-17625
β-strand186-18726
β-strand191-19776
β-strand206-216116
α-helix2171
α-helix219-2213
α-helix222-2265
α-helix227-2359
α-helix236-2405
α-helix247-27024
α-helix282-30322
α-helix304-3085
α-helix421-44525
Chain C: 9 helices, 12 β-strands
ElementResiduesLengthSheet
α-helix27-359
β-strand51-66167
β-strand71-83137
β-strand95-9847
α-helix103-1053
β-strand111-11228
β-strand116-12167
β-strand129-13467
β-strand138-150137
β-strand163-16979
β-strand170-17128
β-strand179-190127
β-strand201-214149
β-strand219-231139
α-helix237-2415
α-helix242-25211
α-helix253-2564
α-helix262-28524
α-helix295-32127
α-helix407-4093
α-helix410-43425
Chain D: 10 helices, 14 β-strands
ElementResiduesLengthSheet
α-helix14-229
β-strand39-501210
β-strand59-711310
α-helix73-753
β-strand83-86410
α-helix90-923
β-strand99-101311
β-strand104110
β-strand108-109210
β-strand117-122610
β-strand126-1381310
β-strand150-154511
β-strand157-159311
β-strand167-171510
β-strand180-181210
β-strand191-2041411
β-strand209-2211311
α-helix224-2263
α-helix227-2315
α-helix232-24312
α-helix244-2463
α-helix252-27423
α-helix285-30824
α-helix392-41423
Chain E: 14 helices, 16 β-strands
ElementResiduesLengthSheet
α-helix10-2011
α-helix351
β-strand36-511612
β-strand56-681312
α-helix70-723
β-strand82-83212
α-helix85-906
β-strand96-98313
β-strand101112
β-strand105-106212
β-strand114-118512
β-strand123-1351312
α-helix140-1423
β-strand147-148214
β-strand151-156613
β-strand164-168512
α-helix171-1733
β-strand176112
β-strand186-188314
β-strand192-199813
β-strand204-211813
β-strand214-216314
α-helix2171
α-helix219-2213
α-helix222-2265
α-helix227-2359
α-helix236-2416
α-helix247-27125
α-helix280-30728
α-helix421-44525
Chain G: 1 helix, 14 β-strands
ElementResiduesLengthSheet
β-strand3-6415
β-strand11-12216
β-strand424-431815
β-strand440-44674
β-strand450-45784
β-strand462-46544
β-strand474115
β-strand477-478215
β-strand483-488615
α-helix493-4953
β-strand497-50374
β-strand518-51924
β-strand520115
β-strand524-52524
β-strand526-527216

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1A, Dprotein464Bos taurus, Homo sapiensP08219 (AlphaFold model), P14867 (AlphaFold model)
Gamma-aminobutyric acid receptor subunit beta-3B, Eprotein473Homo sapiensP28472 (AlphaFold model)
Gamma-aminobutyric acid receptor subunit gamma-2Cprotein495Homo sapiensP18507 (AlphaFold model)
Megabody Mb38Gprotein539Lama glama
Sequence of entity 1 (A, D), FASTA
>6HUP_1 Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1 (chains A, D)
MKKSPGLSDYLWAWTLFLSTLTGRSYGDYKDDDDKQPSLQDELKDNTTVFTRILDRLLDG
YDNRLRPGLGERVTEVKTDIFVTSFGPVSDHDMEYTIDVFFRQSWKDERLKFKGPMTVLR
LNNLMASKIWTPDTFFHNGKKSVAHNMTMPNKLLRITEDGTLLYTMRLTVRAECPMHLED
FPMDAHACPLKFGSYAYTRAEVVYEWTREPARSVVVAEDGSRLNQYDLLGQTVDSGIVQS
STGEYVVMTTHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLT
MTTLSISARNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGYAWDGKSVVPE
KPKKVKDPLIKKNNTYAPTATSYTPNLARGDPGLATIAKSATIEPKEVKPETKPPEPKKT
FNSVSKIDRLSRIAFPLLFGIFNLVYWATYLNREPQLKAPTPHQ
Sequence of entity 2 (B, E), FASTA
>6HUP_2 Gamma-aminobutyric acid receptor subunit beta-3 (chains B, E)
MCSGLLELLLPIWLSWTLGTRGSEPRSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPP
VCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPD
TYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIE
SYGYTTDDIEFYWRGGDKAVTGVERIELPQFSIVEHRLVSRNVVFATGAYPRLSLSFRLK
RNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGITTVLTMTTINTHLRETLPKI
PYVKAIDMYLMGCFVFVFLALLEYAFVNYIFFGRGPQRQKKLAEKTAKAKNDRSKSESNR
VDAHGNILLTSLEVHNEMNEVSGGIGDTRNSAISFDNSGIQYRKQSMPREGHGRFLGDRS
LPHKKTHLRRRSSQLKIKIPDLTDVNAIDRWSRIVFPFTFSLFNLVYWLYYVN
Sequence of entity 3 (C), FASTA
>6HUP_3 Gamma-aminobutyric acid receptor subunit gamma-2 (chains C)
MSSPNIWSTGSSVYSTPVFSQKMTVWILLLLSLYPGFTSQKSDDDYEDYASNKTWVLTPK
VPEGDVTVILNNLLEGYDNKLRPDIGVKPTLIHTDMYVNSIGPVNAINMEYTIDIFFAQT
WYDRRLKFNSTIKVLRLNSNMVGKIWIPDTFFRNSKKADAHWITTPNRMLRIWNDGRVLY
TLRLTIDAECQLQLHNFPMDEHSCPLEFSSYGYPREEIVYQWKRSSVEVGDTRSWRLYQF
SFVGLRNTTEVVKTTSGDYVVMSVYFDLSRRMGYFTIQTYIPCTLIVVLSWVSFWINKDA
VPARTSLGITTVLTMTTLSTIARKSLPKVSYVTAMDLFVSVCFIFVFSALVEYGTLHYFV
SNRKPSKDKDKKKKNPLLRMFSFKAPTIDIRPRSATIQMNNATHLQERDEEYGYECLDGK
DCASFFCCFEDCRTGAWRHGRIHIRIAKMDSYARIFFPTAFCLFNLVYWVSYLYLGGSGG
SGGSGKTETSQVAPA
Sequence of entity 4 (G), FASTA
>6HUP_4 Megabody Mb38 (chains G)
QVQLQESGGGLVQTKTTTSVIDTTNDAQNLLTQAQTIVNTLKDYCPILIAKSSSSNGGTN
NANTPSWQTAGGGKNSCATFGAEFSAASDMINNAQKIVQETQQLSANQPKNITQPHNLNL
NSPSSLTALAQKMLKNAQSQAEILKLANQVESDFNKLSSGHLKDYIGKCDASAISSANMT
MQNQKNNWGNGCAGVEETQSLLKTSAADFNNQTPQINQAQNLANTLIQELGNNPFRASGG
GSGGGGSGKLSDTYEQLSRLLTNDNGTNSKTSAQAINQAVNNLNERAKTLAGGTTNSPAY
QATLLALRSVLGLWNSMGYAVICGGYTKSPGENNQKDFHYTDENGNGTTINCGGSTNSNG
THSYNGTNTLKADKNVSLSIEQYEKIHEAYQILSKALKQAGLAPLNSKGEKLEAHVTTSK
YGSLRVSCAASGRTFTTYIMAWFRQAPGKEREFLAAMDQGRIQYYGDSVRGRFTISRDYA
KNSVDLQLDGLRPEDTAVYYCAAGAGFWGLRTASSYHYWGQGTQVTVSSHHHHHHEPEA

Ligands and cofactors

IDNameFormulaCopies
PIO[(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-d…C25 H49 O19 P32
ABUGamma-amino-butanoic acidC4 H9 N O22
DZP7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-oneC16 H13 Cl N2 O3

Primary citation

GABAAreceptor signalling mechanisms revealed by structural pharmacology. Masiulis, S., Desai, R., Uchanski, T. et al. Nature (2019) 565:454-459. DOI 10.1038/s41586-018-0832-5 · PubMed

Other PDB entries of the same protein (UniProt P08219 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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