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Structure of the thermostabilized EAAT1 cryst mutant in complex with L-asp, three sodium ions and the allosteric inhibitor UCPH101
Analyse Structure of the thermostabilized EAAT1 cryst mutant in complex with L-asp… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AWM
- Type
- protein
- Length
- 412 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Excitatory amino acid transporter 1,NEUTRAL amino acid transporter B(0),EXCITATORY amino…
- UniProt
- P43003, Q15758
- Ligands
- ASP, 6Z6, NA, BA
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 80% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Excitatory amino acid transporter 1,NEUTRAL amino acid transporter B(0),EXCITATORY amino acid transporter 1 | protein | 412 | 80% helix, 1% strand | P43003, Q15758 |
Ligands and binding sites
- ASP · Aspartic acid · ligand · chains A
- 6Z6 · 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile · ligand · chains A
- NA · Sodium ion · metal · 3 copies · chains A
- BA · Barium ion · metal · 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 | 587 | 0.69 | 0.78 | 57 | empty |
| 2 | 86 | 0.51 | 0.83 | 17 | empty |
| 3 | 118 | 0.47 | 0.78 | 15 | empty |
| 4 | 132 | 0.44 | 0.75 | 22 | 6Z6 |
| 5 | 50 | 0.37 | 0.79 | 12 | empty |
Compared structures
- 7AWM · Structure of the thermostabilized EAAT1 cryst mutant in complex with L-ASP, three sodium… · the same entry in another collection · chain A against A, TM-score 1.00
- P43003 · AlphaFold monomer V2.0 prediction for excitatory amino acid transporter 1 (P43003) · a predicted model of the same protein · chain A against A, TM-score 0.96
- Q15758 · AlphaFold monomer V2.0 prediction for neutral amino acid transporter B(0) (Q15758) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P43003
- Every structure of UniProt Q15758
- Elsewhere: RCSB PDB 7AWM · PDBe 7AWM · UniProt P43003 · UniProt Q15758
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