MolNFT v1 · #139357 · protein
Crystal structure of FMN-bound tdsc from paenibacillus sp. A11-2
5XDB · Thermophilic dibenzothiophene desulfurization enzyme C: “Crystal structure of FMN-bound tdsc from paenibacillus sp. A11-2”. X-ray diffraction, 2 ligands (FMN, SO4), 18 pockets (best druggability 0.91). MolNFT v1 #139357 on…
- PDB
- 5XDB
- Type
- protein
- Length
- 1,600 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thermophilic dibenzothiophene desulfurization enzyme C
- UniProt
- Q9LBX2
- Ligands
- FMN, SO4
- Pockets
- 18 · best druggability 0.91
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Thermophilic dibenzothiophene desulfurization enzyme C | protein | 400 | 60% helix, 11% strand | Q9LBX2 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 5 copies · chains A, B, C, D
- GOL · Glycerol · additive · 2 copies · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 988 | 0.91 | 0.93 | 130 | FMN |
| 2 | 1003 | 0.91 | 0.92 | 134 | FMN |
| 3 | 327 | 0.66 | 0.82 | 36 | empty |
| 4 | 324 | 0.64 | 0.80 | 40 | empty |
| 5 | 93 | 0.63 | 0.89 | 22 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2358 Ų buried · 30 hydrogen bonds · protein-protein
- A–B · 2294 Ų buried · 29 hydrogen bonds · protein-protein
- B–C · 1811 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 1811 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 142 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5XDB · Crystal structure of FMN-bound TdsC from Paenibacillus sp. A11-2 · 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 Q9LBX2
- Elsewhere: RCSB PDB 5XDB · PDBe 5XDB · UniProt Q9LBX2
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