MolNFT v1 · #62235 · protein
Crystal structure of an oxidoreductase from enterococcus faecalis
3E9M · Oxidoreductase, GFO/IDH/MOCA family: “Crystal structure of an oxidoreductase from enterococcus faecalis”. X-ray diffraction, 9 pockets (best druggability 0.70). MolNFT v1 #62235 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3E9M
- Type
- protein
- Length
- 1,276 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidoreductase, GFO/IDH/MOCA family
- UniProt
- Q837L0
- Pockets
- 9 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 35% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxidoreductase, GFO/IDH/MOCA family | protein | 321 | 36% helix, 26% strand | Q837L0 |
| B, C | Oxidoreductase, GFO/IDH/MOCA family | protein | 318 | 34% helix, 25% strand | Q837L0 |
| D | Oxidoreductase, GFO/IDH/MOCA family | protein | 319 | 35% helix, 25% strand | Q837L0 |
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 807 | 0.70 | 0.76 | 76 | empty |
| 2 | 478 | 0.69 | 0.79 | 45 | empty |
| 3 | 466 | 0.67 | 0.79 | 42 | empty |
| 4 | 514 | 0.66 | 0.77 | 50 | empty |
| 5 | 390 | 0.64 | 0.78 | 37 | empty |
Interfaces
5 interfaces between chains.
- A–D · 1227 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 275 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 205 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 61 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 15 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 3E9M · Crystal Structure of an oxidoreductase 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 Q837L0
- Elsewhere: RCSB PDB 3E9M · PDBe 3E9M · UniProt Q837L0
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