MolNFT v1 · #58825 · protein
Crystal structure of an ethd-like protein (REUT_B5694) from ralstonia eutropha JMP134 at 2.10 a resolution
3BF4 · Ethyl tert-butyl ether degradation ethd protein: “Crystal structure of an ethd-like protein (REUT_B5694) from ralstonia eutropha JMP134 at 2.10 a resolution”. X-ray diffraction, 3 pockets (best druggability 0.76). MolNFT v1 #58825…
- PDB
- 3BF4
- Type
- protein
- Length
- 226 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ethyl tert-butyl ether degradation ethd protein
- UniProt
- Q46P95
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ethyl tert-butyl ether degradation ethd protein | protein | 115 | 34% helix, 32% strand | Q46P95 |
| B | Ethyl tert-butyl ether degradation ethd protein | protein | 111 | 35% helix, 39% strand | Q46P95 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
- IPA · Isopropyl alcohol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 100 | 0.76 | 0.96 | 30 | EDO |
| 2 | 146 | 0.57 | 0.82 | 24 | EDO |
| 3 | 85 | 0.54 | 0.84 | 20 | EDO |
Interfaces
1 interface between chains.
- A–B · 1555 Ų buried · 41 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3BF4 · Crystal structure of an ethd-like protein (reut_b5694) from ralstonia eutropha jmp134 at… · 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 Q46P95
- Elsewhere: RCSB PDB 3BF4 · PDBe 3BF4 · UniProt Q46P95
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.