MolNFT v1 · #112976 · protein
The crystal structure of the GST-like domains complex of eprs-AIMP2 mutant S156D
5A1N · Bifunctional GLUTAMATE/PROLINE--tRNA ligase: “The crystal structure of the GST-like domains complex of eprs-AIMP2 mutant S156D”. X-ray diffraction, 4 pockets (best druggability 0.64). MolNFT v1 #112976 on GenesisL1: 3D structure…
- PDB
- 5A1N
- Type
- protein
- Length
- 371 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional GLUTAMATE/PROLINE--tRNA ligase; Aminoacyl tRNA synthase complex-interacting…
- EC
- 6.1.1.15, 6.1.1.17
- UniProt
- P07814, Q13155
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional GLUTAMATE/PROLINE--tRNA ligase (EC 6.1.1.15, 6.1.1.17) | protein | 167 | 55% helix, 10% strand | P07814 |
| B | Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 | protein | 204 | 49% helix, 13% strand | Q13155 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 336 | 0.64 | 0.80 | 34 | empty |
| 2 | 301 | 0.53 | 0.74 | 43 | GOL |
| 3 | 136 | 0.42 | 0.75 | 23 | empty |
| 4 | 93 | 0.36 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1119 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 5A1N · The crystal structure of the GST-like domains complex of EPRS-AIMP2 mutant S156D · the same entry in another collection · chain A against A, TM-score 1.00
- P07814 · AlphaFold monomer V2.0 prediction for bifunctional GLUTAMATE/PROLINE --tRNA ligase… · a predicted model of the same protein · chain A against A, TM-score 0.98
- Q13155 · AlphaFold monomer V2.0 prediction for aminoacyl tRNA synthase complex-interacting… · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P07814
- Every structure of UniProt Q13155
- Elsewhere: RCSB PDB 5A1N · PDBe 5A1N · UniProt P07814 · UniProt Q13155
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