MolNFT v1 · #109440 · protein
Crystal structure of 276S/M395R-gltph in inward-facing conformation
4X2S · 425AA long hypothetical proton glutamate symport protein: “Crystal structure of 276S/M395R-gltph in inward-facing conformation”. X-ray diffraction, 2 ligands (ASP, NA), 14 pockets (best druggability 0.88). MolNFT v1 #109440 on…
- PDB
- 4X2S
- Type
- protein
- Length
- 1,231 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 425AA long hypothetical proton glutamate symport protein
- UniProt
- O59010
- Ligands
- ASP, NA
- Pockets
- 14 · best druggability 0.88
Structure
x-ray diffraction · 3 distinct chains · 66% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 425AA long hypothetical proton glutamate symport protein | protein | 405 | 65% helix, 0% strand | O59010 |
| B | 425AA long hypothetical proton glutamate symport protein | protein | 411 | 67% helix, 0% strand | O59010 |
| C | 425AA long hypothetical proton glutamate symport protein | protein | 415 | 67% helix, 0% strand | O59010 |
Ligands and binding sites
- ASP · Aspartic acid · ligand · 3 copies · chains A, B, C
- NA · Sodium ion · metal · 6 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 731 | 0.88 | 0.91 | 52 | empty |
| 2 | 967 | 0.80 | 0.81 | 90 | empty |
| 3 | 987 | 0.80 | 0.81 | 94 | empty |
| 4 | 298 | 0.64 | 0.80 | 48 | empty |
| 5 | 412 | 0.61 | 0.76 | 45 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1142 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1124 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 1108 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4X2S · Crystal structure of 276S/M395R-GltPh in inward-facing conformation · 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 0.64
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 4X2S · PDBe 4X2S · UniProt O59010
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