MolNFT v1 · #34374 · protein
Crystal structure of desulfurization enzyme dszb
2DE2 · Dibenzothiophene desulfurization enzyme B: “Crystal structure of desulfurization enzyme dszb”. X-ray diffraction, 2 pockets (best druggability 0.80). MolNFT v1 #34374 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2DE2
- Type
- protein
- Length
- 347 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dibenzothiophene desulfurization enzyme B
- EC
- 3.13.1.3
- UniProt
- P54997
- Pockets
- 2 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dibenzothiophene desulfurization enzyme B (EC 3.13.1.3) | protein | 347 | 50% helix, 16% strand | P54997 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 288 | 0.80 | 0.91 | 48 | GOL |
| 2 | 106 | 0.41 | 0.77 | 25 | GOL |
Compared structures
- 2DE2 · Crystal structure of desulfurization enzyme DSZB · the same entry in another collection · chain A against A, TM-score 1.00
- P54997 · AlphaFold monomer V2.0 prediction for 2'-hydroxybiphenyl-2-sulfinate desulfinase (P54997) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P54997
- Elsewhere: RCSB PDB 2DE2 · PDBe 2DE2 · UniProt P54997
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