MolNFT v1 · #173341 · protein
Structure of the thermostabilized EAAT1 cryst mutant in complex with rubidium and barium and the allosteric inhibitor UCPH101
7AWN · Excitatory amino acid transporter 1,NEUTRAL amino acid…: “Structure of the thermostabilized EAAT1 cryst mutant in complex with rubidium and barium and the allosteric…”. X-ray diffraction, 3 ligands (6Z6, BA, RB), 5 pockets (best…
- PDB
- 7AWN
- Type
- protein
- Length
- 391 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
- 6Z6, BA, RB
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 80% helix, 2% 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 | 391 | 80% helix, 2% strand | P43003, Q15758 |
Ligands and binding sites
- 6Z6 · 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile · ligand · chains A
- BA · Barium ion · metal · 2 copies · chains A
- RB · Rubidium 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 538 | 0.71 | 0.80 | 53 | RB |
| 2 | 331 | 0.59 | 0.76 | 48 | 6Z6 |
| 3 | 115 | 0.58 | 0.85 | 22 | empty |
| 4 | 74 | 0.41 | 0.79 | 16 | empty |
| 5 | 65 | 0.37 | 0.77 | 15 | empty |
Compared structures
- 7AWN · Structure of the thermostabilized EAAT1 cryst mutant in complex with rubidium and barium… · 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 7AWN · PDBe 7AWN · UniProt P43003 · UniProt Q15758
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