MolNFT v1 · #183507 · protein
Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with hip-B
7NSG: “Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with hip-B”. Electron microscopy, 4 ligands (PC1, UR5, UR8), 20 pockets (best druggability 0.86). MolNFT v1 #183507 on GenesisL1: 3D structure, binding sites…
- PDB
- 7NSG
- 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, UR5, UR8, Y01
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 1 distinct chain · 72% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Excitatory amino acid transporter 3 | protein | 430 | 72% helix, 4% strand | P43005 |
Ligands and binding sites
- PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine · ligand · 15 copies · chains A, B, C
- UR5 · (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid · ligand · 3 copies · chains A, B, C
- UR8 · (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic 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, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1176 | 0.86 | 0.86 | 58 | empty |
| 2 | 462 | 0.76 | 0.85 | 46 | UR5, UR8 |
| 3 | 432 | 0.76 | 0.85 | 45 | UR5, UR8 |
| 4 | 452 | 0.76 | 0.85 | 45 | UR5, UR8 |
| 5 | 570 | 0.68 | 0.77 | 69 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1461 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 1456 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1451 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 7NSG · Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B · 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 7NSG · PDBe 7NSG · UniProt P43005
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