MolNFT v1 · #163462 · protein
Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with tfb-tboa
6S3Q: “Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with tfb-tboa”. Electron microscopy, 3 ligands (PC1, 7O9, Y01), 20 pockets (best druggability 0.86). MolNFT v1 #163462 on GenesisL1: 3D structure, binding…
- PDB
- 6S3Q
- Type
- protein
- Length
- 1,290 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Excitatory amino acid transporter 3
- UniProt
- P43005
- Ligands
- PC1, 7O9, Y01
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 1 distinct chain · 68% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Excitatory amino acid transporter 3 | protein | 430 | 68% helix, 4% strand | P43005 |
Ligands and binding sites
- PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine · ligand · 15 copies · chains A, B, C
- 7O9 · (2~{S},3~{S})-2-azanyl-3-[[3-[[4-(trifluoromethyl) phenyl]carbonylamino]phenyl]methoxy]butanedioic acid · ligand · 3 copies · chains A, B, C
- Y01 · Cholesterol hemisuccinate · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1135 | 0.86 | 0.86 | 59 | empty |
| 2 | 568 | 0.80 | 0.86 | 54 | 7O9 |
| 3 | 567 | 0.80 | 0.86 | 58 | 7O9 |
| 4 | 571 | 0.79 | 0.85 | 56 | 7O9 |
| 5 | 606 | 0.69 | 0.78 | 75 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1441 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 1436 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1434 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6S3Q · Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with TFB-TBOA · the same entry in another collection · chain A against A, TM-score 1.00
- P43005 · AlphaFold monomer V2.0 prediction for excitatory amino acid transporter 3 (P43005) · a predicted model of the same protein · chain C against A, TM-score 0.62
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 P43005
- Elsewhere: RCSB PDB 6S3Q · PDBe 6S3Q · UniProt P43005
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