MolNFT v1 · #135750 · protein
Crystal structure of GLUN1/GLUN2A ligand-binding domain in complex with glycine and nvp-AAM077
5U8C · Glutamate receptor ionotropic, NMDA 1: “Crystal structure of GLUN1/GLUN2A ligand-binding domain in complex with glycine and nvp-AAM077”. X-ray diffraction, 2 ligands (GLY, 84J), 5 pockets (best druggability 0.81). MolNFT v1 #135750…
- PDB
- 5U8C
- Type
- protein
- Length
- 567 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor ionotropic, NMDA 1; Glutamate receptor ionotropic, NMDA 2A
- UniProt
- P35439
- Ligands
- GLY, 84J
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate receptor ionotropic, NMDA 1 | protein | 284 | 31% helix, 27% strand | P35439 |
| B | Glutamate receptor ionotropic, NMDA 2A | protein | 283 | 34% helix, 26% strand | — |
Ligands and binding sites
- GLY · Glycine · ligand · chains A
- 84J · [(R)-{[(1S)-1-(4-bromophenyl)ethyl]amino}(2,3-dihydroxyquinoxalin-5-yl)methyl]phosphonic acid · ligand · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1000 | 0.81 | 0.82 | 122 | empty |
| 2 | 390 | 0.72 | 0.83 | 55 | 84J |
| 3 | 146 | 0.45 | 0.77 | 29 | empty |
| 4 | 74 | 0.31 | 0.73 | 16 | empty |
| 5 | 54 | 0.31 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1305 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 5U8C · Crystal structure of GLUN1/GLUN2A ligand-binding domain in complex with glycine and… · the same entry in another collection · chain A against A, TM-score 1.00
- P35439 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, NMDA 1 (P35439) · a predicted model of the same protein · chain A 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 P35439
- Elsewhere: RCSB PDB 5U8C · PDBe 5U8C · UniProt P35439
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