MolNFT v1 · #139589 · protein
Crystal structure of dibenzothiophene sulfone monooxygenase bdsa at 2.2 angstrome
5XKC · Dibenzothiophene desulfurization enzyme a: “Crystal structure of dibenzothiophene sulfone monooxygenase bdsa at 2.2 angstrome”. X-ray diffraction, 19 pockets (best druggability 0.80). MolNFT v1 #139589 on GenesisL1: 3D structure…
- PDB
- 5XKC
- Type
- protein
- Length
- 1,784 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dibenzothiophene desulfurization enzyme a
- EC
- 1.14.14.22
- UniProt
- Q8GRC7
- Pockets
- 19 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Dibenzothiophene desulfurization enzyme a (EC 1.14.14.22) | protein | 446 | 45% helix, 15% strand | Q8GRC7 |
Pockets
19 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 662 | 0.80 | 0.85 | 98 | empty |
| 2 | 1023 | 0.78 | 0.80 | 92 | empty |
| 3 | 930 | 0.77 | 0.80 | 86 | empty |
| 4 | 859 | 0.75 | 0.79 | 59 | empty |
| 5 | 895 | 0.75 | 0.78 | 58 | empty |
Interfaces
6 interfaces between chains.
- C–D · 3309 Ų buried · 61 hydrogen bonds · protein-protein
- A–B · 3250 Ų buried · 63 hydrogen bonds · protein-protein
- A–C · 986 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 973 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 113 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5XKC · Crystal structure of dibenzothiophene sulfone monooxygenase BdsA at 2.2 angstrome · 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 Q8GRC7
- Elsewhere: RCSB PDB 5XKC · PDBe 5XKC · UniProt Q8GRC7
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