MolNFT v1 · #188566 · protein
The crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase mutant (G108S) from E. COLI
7TYE: “The crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase mutant (G108S) from E. COLI”. X-ray diffraction, 6 pockets (best druggability 0.69). MolNFT v1 #188566 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7TYE
- Type
- protein
- Length
- 640 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3,4-dihydroxy-2-butanone 4-phosphate synthase
- EC
- 4.1.99.12
- UniProt
- C3SU87
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | 3,4-dihydroxy-2-butanone 4-phosphate synthase (EC 4.1.99.12) | protein | 213 | 40% helix, 22% strand | C3SU87 |
| B | 3,4-dihydroxy-2-butanone 4-phosphate synthase (EC 4.1.99.12) | protein | 214 | 38% helix, 21% strand | C3SU87 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 200 | 0.69 | 0.87 | 27 | empty |
| 2 | 248 | 0.67 | 0.84 | 35 | empty |
| 3 | 145 | 0.44 | 0.76 | 20 | empty |
| 4 | 82 | 0.44 | 0.80 | 25 | empty |
| 5 | 118 | 0.38 | 0.74 | 21 | empty |
Interfaces
2 interfaces between chains.
- B–C · 1575 Ų buried · 26 hydrogen bonds · protein-protein
- A–C · 447 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 7TYE · The crystal structure of 3,4-dihydroxy-2-buta 4-phosphate synthase mutant (G108S) from E.… · 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 C3SU87
- Elsewhere: RCSB PDB 7TYE · PDBe 7TYE · UniProt C3SU87
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