MolNFT v1 · #63667 · protein
Crystal structure of dethiobiotin synthetase in mycobacterium tuberculosis
3FGN: “Crystal structure of dethiobiotin synthetase in mycobacterium tuberculosis”. X-ray diffraction, 8 pockets (best druggability 0.78). MolNFT v1 #63667 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3FGN
- Type
- protein
- Length
- 907 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dethiobiotin synthetase
- EC
- 6.3.3.3
- UniProt
- O06620
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 42% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dethiobiotin synthetase (EC 6.3.3.3) | protein | 230 | 41% helix, 23% strand | O06620 |
| B | Dethiobiotin synthetase (EC 6.3.3.3) | protein | 225 | 43% helix, 23% strand | O06620 |
| C | Dethiobiotin synthetase (EC 6.3.3.3) | protein | 228 | 42% helix, 21% strand | O06620 |
| D | Dethiobiotin synthetase (EC 6.3.3.3) | protein | 224 | 43% helix, 25% strand | O06620 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1159 | 0.78 | 0.80 | 105 | empty |
| 2 | 328 | 0.65 | 0.80 | 53 | empty |
| 3 | 304 | 0.65 | 0.81 | 47 | empty |
| 4 | 209 | 0.60 | 0.81 | 39 | empty |
| 5 | 99 | 0.60 | 0.87 | 24 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1293 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 1130 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 343 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 129 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 98 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3FGN · Crystal structure of dethiobiotin synthetase in Mycobacterium tuberculosis · 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 O06620
- Elsewhere: RCSB PDB 3FGN · PDBe 3FGN · UniProt O06620
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