MolNFT v1 · #36126 · protein
Crystal structure of the putative 2-dehydropantoate 2-reductase from enterococcus faecalis
2EW2 · 2-dehydropantoate 2-reductase, putative: “Crystal structure of the putative 2-dehydropantoate 2-reductase from enterococcus faecalis”. X-ray diffraction, 2 ligands (MG, SO4), 4 pockets (best druggability 0.64). MolNFT v1 #36126 on…
- PDB
- 2EW2
- Type
- protein
- Length
- 627 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-dehydropantoate 2-reductase, putative
- EC
- 1.1.1.169
- UniProt
- Q831Q5
- Ligands
- MG, SO4
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-dehydropantoate 2-reductase, putative (EC 1.1.1.169) | protein | 313 | 49% helix, 17% strand | Q831Q5 |
| B | 2-dehydropantoate 2-reductase, putative (EC 1.1.1.169) | protein | 314 | 50% helix, 17% strand | Q831Q5 |
Ligands and binding sites
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 | 89 | 0.64 | 0.90 | 21 | empty |
| 2 | 71 | 0.58 | 0.89 | 23 | empty |
| 3 | 211 | 0.50 | 0.76 | 38 | empty |
| 4 | 123 | 0.43 | 0.77 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1064 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 2EW2 · Crystal Structure of the Putative 2-Dehydropantoate 2-Reductase from Enterococcus faecalis · the same entry in another collection · chain A against A, TM-score 1.00
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 Q831Q5
- Elsewhere: RCSB PDB 2EW2 · PDBe 2EW2 · UniProt Q831Q5
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