Research workbench
Thallium-bound inward-facing state of the glutamate transporter homologue gltph
Analyse Thallium-bound inward-facing state of the glutamate transporter homologue gltph in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4P1A
- Type
- protein
- Length
- 1,234 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gltph
- UniProt
- O59010
- Ligands
- TL, HG
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 3 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gltph | protein | 413 | 77% helix, 0% strand | O59010 |
| B | Gltph | protein | 408 | 79% helix, 0% strand | O59010 |
| C | Gltph | protein | 413 | 78% helix, 0% strand | O59010 |
Ligands and binding sites
- TL · Thallium (I) ion · metal · 6 copies · chains A, B, C
- HG · Mercury (II) ion · metal · 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, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 679 | 0.88 | 0.92 | 38 | empty |
| 2 | 542 | 0.66 | 0.77 | 72 | empty |
| 3 | 506 | 0.65 | 0.77 | 52 | empty |
| 4 | 495 | 0.64 | 0.77 | 53 | empty |
| 5 | 489 | 0.64 | 0.77 | 54 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1163 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1148 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 1146 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4P1A · Thallium-bound inward-facing state of the glutamate transporter homologue GltPh · the same entry in another collection · chain A against A, TM-score 1.00
- O59010 · AlphaFold monomer V2.0 prediction for glutamate transporter homolog (O59010) · a predicted model of the same protein · chain A against A, TM-score 0.63
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 O59010
- Elsewhere: RCSB PDB 4P1A · PDBe 4P1A · UniProt O59010
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