MolNFT v1 · #62477 · protein
Crystal structure of probable 2-dehydropantoate 2-reductase pane from bacillus subtilis
3EGO: “Crystal structure of probable 2-dehydropantoate 2-reductase pane from bacillus subtilis”. X-ray diffraction, 5 pockets (best druggability 0.76). MolNFT v1 #62477 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3EGO
- Type
- protein
- Length
- 583 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable 2-dehydropantoate 2-reductase
- EC
- 1.1.1.169
- UniProt
- O34661
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable 2-dehydropantoate 2-reductase (EC 1.1.1.169) | protein | 292 | 46% helix, 19% strand | O34661 |
| B | Probable 2-dehydropantoate 2-reductase (EC 1.1.1.169) | protein | 291 | 47% helix, 19% strand | O34661 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1124 | 0.76 | 0.79 | 83 | empty |
| 2 | 647 | 0.69 | 0.77 | 75 | empty |
| 3 | 123 | 0.44 | 0.77 | 18 | empty |
| 4 | 69 | 0.32 | 0.75 | 15 | empty |
| 5 | 58 | 0.30 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 719 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3EGO · Crystal structure of Probable 2-dehydropantoate 2-reductase panE from Bacillus Subtilis · the same entry in another collection · chain A against A, TM-score 1.00
- O34661 · AlphaFold monomer V2.0 prediction for 2-dehydropantoate 2-reductase (O34661) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 O34661
- Elsewhere: RCSB PDB 3EGO · PDBe 3EGO · UniProt O34661
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