MolNFT v1 · #187555 · protein
Human wildtype GABA reuptake transporter 1 in complex with tiagabine, inward-open conformation
7SK2 · Sodium- and chloride-dependent GABA transporter 1: “Human wildtype GABA reuptake transporter 1 in complex with tiagabine, inward-open conformation”. Electron microscopy, 1 ligand (TGI), 6 pockets (best druggability 0.81). MolNFT v1…
- PDB
- 7SK2
- Type
- protein
- Length
- 532 residues
- Chains
- 1
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sodium- and chloride-dependent GABA transporter 1
- UniProt
- P30531
- Ligands
- TGI
- Pockets
- 6 · best druggability 0.81
Structure
electron microscopy · 1 distinct chain · 67% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sodium- and chloride-dependent GABA transporter 1 | protein | 532 | 67% helix, 1% strand | P30531 |
Ligands and binding sites
- TGI · Tiagabine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 804 | 0.81 | 0.84 | 86 | TGI |
| 2 | 50 | 0.62 | 0.93 | 17 | empty |
| 3 | 293 | 0.61 | 0.79 | 28 | empty |
| 4 | 141 | 0.52 | 0.80 | 23 | empty |
| 5 | 51 | 0.42 | 0.82 | 17 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7SK2 · Human wildtype GABA reuptake transporter 1 in complex with tiagabine, inward-open… · the same entry in another collection · chain A against A, TM-score 1.00
- P30531 · AlphaFold monomer V2.0 prediction for sodium- and chloride-dependent GABA transporter 1… · a predicted model of the same protein · chain A against A, TM-score 0.89
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 P30531
- Elsewhere: RCSB PDB 7SK2 · PDBe 7SK2 · UniProt P30531
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