9GIE: NMDA

NMDA bound to compound 315. Determined by X-ray diffraction at 2.36 Å resolution. Released 27 Nov 2024.

Method
X-ray diffraction
Resolution
2.36 Å
Organism
Homo sapiens
Chains
2
Atoms
4,298
Mol. weight
67.55 kDa
Ligands
A1ILS
Released
27 Nov 2024

Explore 9GIE in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9GIE contains 31 α-helices and 44 β-strands across 2 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: 14 helices, 23 β-strands

ElementResiduesLengthSheet
β-strand397-40261
β-strand40512
β-strand40912
β-strand410-41341
α-helix420-4223
β-strand42413
β-strand43013
β-strand434-43851
β-strand451-45661
α-helix458-47013
β-strand473-47861
β-strand48714
β-strand49814
α-helix500-5078
β-strand512-51321
β-strand51815
α-helix521-5244
β-strand528-52921
α-helix5301
α-helix5321
β-strand534-543105
α-helix670-6734
β-strand67616
β-strand67916
β-strand681-68225
β-strand68417
α-helix688-6958
α-helix697-6993
α-helix700-70910
β-strand71117
α-helix714-72310
β-strand728-73255
α-helix733-74210
β-strand746-758135
β-strand761-76221
α-helix769-78113
α-helix784-7929
Chain B: 17 helices, 21 β-strands
ElementResiduesLengthSheet
β-strand398-40258
β-strand40519
β-strand40919
β-strand410-41348
β-strand424110
α-helix4291
β-strand430110
α-helix431-4322
β-strand434-43858
β-strand451-45668
α-helix458-47013
β-strand474-47858
β-strand487-488211
β-strand497-498211
α-helix500-5067
β-strand512-51328
α-helix5171
β-strand518112
α-helix5191
α-helix521-5244
β-strand527-52938
α-helix5301
α-helix5321
β-strand534-5431012
α-helix670-6734
β-strand681-682212
β-strand684113
α-helix688-6914
α-helix692-6965
α-helix700-70910
β-strand711113
α-helix714-7229
β-strand728-732512
α-helix733-74210
β-strand746-7581312
β-strand761-76338
α-helix769-78113
α-helix784-7929

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Glutamate receptor ionotropic, NMDA 1A, Bprotein292Homo sapiensQ05586 (AlphaFold model)
Sequence of entity 1 (A, B), FASTA
>9GIE_1 Glutamate receptor ionotropic, NMDA 1 (chains A, B)
MSTRLKIVTIHQEPFVYVKPTLSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQ
CCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMI
VAPLTINNERAQYIEFSKPFKYQGLTILVKKGTRITGINDPRLRNPSDKFIYATVKQSSV
DIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTT
GELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDSR

Ligands and cofactors

IDNameFormulaCopies
A1ILS(2~{R})-2-azanyl-3-[[4-(2-ethylphenyl)-2,3-dihydro-1~{H}-indol-2-yl]carbonylami…C20 H23 N3 O32

Primary citation

Advancements in NMDA Receptor-Targeted Antidepressants: From d-Cycloserine Discovery to Preclinical Efficacy of Lu AF90103. Ascic, E., Marigo, M., David, L. et al. J Med Chem (2024) 67:20135-20155. DOI 10.1021/acs.jmedchem.4c01477 · PubMed

Other PDB entries of the same protein (UniProt Q05586 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

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