MolNFT v1 · #135115 · protein
Structure of the human GLUN1/GLUN2A lbd in complex with compound 9 (GNE3500)
5TPA: “Structure of the human GLUN1/GLUN2A lbd in complex with compound 9 (GNE3500)”. X-ray diffraction, 1 ligand (7H2). MolNFT v1 #135115 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5TPA
- Type
- protein
- Length
- 556 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q12879, Q05586
- Ligands
- 7H2
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 276 | — | Q12879 |
| B | — | protein | 280 | — | Q05586 |
Ligands and binding sites
- 7H2 · (1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5TPA · Structure of the human GluN1/GluN2A LBD in complex with compound 9 (GNE3500) · the same entry in another collection · chain B against B, TM-score 1.00
- Q12879 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, NMDA 2A (Q12879) · a predicted model of the same protein · chain A against A, TM-score 0.98
- Q05586 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, NMDA 1 (Q05586) · a predicted model of the same protein · chain B against A, TM-score 0.96
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q12879
- Every structure of UniProt Q05586
- Elsewhere: RCSB PDB 5TPA · PDBe 5TPA · UniProt Q12879 · UniProt Q05586
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