Research workbench
Geph E in complex with a GABA receptor ALPHA3 derived double mutant peptide in spacegroup P21212
Analyse Geph E in complex with a GABA receptor ALPHA3 derived double mutant peptide in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4TK3
- Type
- protein
- Length
- 841 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gephyrin; Gamma-aminobutyric acid receptor subunit alpha-3
- EC
- 2.7.7.75, 2.10.1.1
- UniProt
- Q03555, P20236
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 20% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gephyrin (EC 2.7.7.75, 2.10.1.1) | protein | 418 | 21% helix, 34% strand | Q03555 |
| B | Gephyrin (EC 2.7.7.75, 2.10.1.1) | protein | 406 | 20% helix, 35% strand | Q03555 |
| C | Gamma-aminobutyric acid receptor subunit alpha-3 | protein | 9 | 0% helix, 0% strand | P20236 |
| D | Gamma-aminobutyric acid receptor subunit alpha-3 | protein | 8 | 0% helix, 0% strand | P20236 |
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1178 | 0.83 | 0.84 | 116 | empty |
| 2 | 1026 | 0.79 | 0.81 | 106 | empty |
| 3 | 897 | 0.79 | 0.81 | 96 | empty |
Interfaces
5 interfaces between chains.
- A–B · 3572 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 635 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 614 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 166 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 136 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4TK3 · Geph E in complex with a GABA receptor alpha3 derived double mutant peptide in spacegroup… · the same entry in another collection · chain D against D, TM-score 1.00
- Q03555 · AlphaFold monomer V2.0 prediction for gephyrin (Q03555) · a predicted model of the same protein · chain B against A, TM-score 0.97
- P20236 · AlphaFold monomer V2.0 prediction for gamma-aminobutyric acid receptor subunit alpha-3… · a predicted model of the same protein · chain C against A, TM-score 0.45
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 Q03555
- Every structure of UniProt P20236
- Elsewhere: RCSB PDB 4TK3 · PDBe 4TK3 · UniProt Q03555 · UniProt P20236
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