Research workbench
Crystal structure of bdsa from bacillus subtilis wu-S2B
Analyse Crystal structure of bdsa from bacillus subtilis wu-S2B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5TLC
- Type
- protein
- Length
- 1,657 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dibenzothiophene desulfurization enzyme a
- UniProt
- Q8GRC7
- Pockets
- 11 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dibenzothiophene desulfurization enzyme a | protein | 438 | 41% helix, 13% strand | Q8GRC7 |
| B | Dibenzothiophene desulfurization enzyme a | protein | 436 | 40% helix, 14% strand | Q8GRC7 |
| C | Dibenzothiophene desulfurization enzyme a | protein | 400 | 42% helix, 15% strand | Q8GRC7 |
| D | Dibenzothiophene desulfurization enzyme a | protein | 383 | 40% helix, 16% strand | Q8GRC7 |
Pockets
11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 782 | 0.83 | 0.86 | 84 | empty |
| 2 | 1105 | 0.82 | 0.83 | 133 | empty |
| 3 | 1008 | 0.82 | 0.83 | 126 | empty |
| 4 | 56 | 0.72 | 0.99 | 19 | empty |
| 5 | 460 | 0.64 | 0.77 | 44 | empty |
Interfaces
6 interfaces between chains.
- C–D · 3235 Ų buried · 57 hydrogen bonds · protein-protein
- A–B · 3192 Ų buried · 65 hydrogen bonds · protein-protein
- B–D · 950 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 920 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 107 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5TLC · Crystal structure of BdsA from Bacillus subtilis WU-S2B · 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 5TLC · PDBe 5TLC · UniProt Q8GRC7
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