Research workbench
Crystal structure of the halohydrin dehalogenase hheg T123W mutant
Analyse Crystal structure of the halohydrin dehalogenase hheg T123W mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6I9U
- Type
- protein
- Length
- 2,572 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative oxidoreductase
- UniProt
- M5A5Y8
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E, G, H, I, J | Putative oxidoreductase | protein | 257 | 46% helix, 15% strand | M5A5Y8 |
| B, F | Putative oxidoreductase | protein | 258 | 45% helix, 15% strand | M5A5Y8 |
Pockets
20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 957 | 0.77 | 0.79 | 72 | empty |
| 2 | 182 | 0.74 | 0.90 | 31 | empty |
| 3 | 184 | 0.73 | 0.90 | 25 | empty |
| 4 | 179 | 0.73 | 0.90 | 25 | empty |
| 5 | 197 | 0.72 | 0.88 | 25 | empty |
Interfaces
12 interfaces between chains.
- A–D · 1589 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 1574 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1342 Ų buried · 16 hydrogen bonds · protein-protein
- E–F · 1336 Ų buried · 16 hydrogen bonds · protein-protein
- I–J · 1319 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6I9U · Crystal structure of the halohydrin dehalogenase HheG T123W mutant · 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 M5A5Y8
- Elsewhere: RCSB PDB 6I9U · PDBe 6I9U · UniProt M5A5Y8
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