Research workbench
Halogenase domain from cura module (apo hal)
Analyse Halogenase domain from cura module (apo hal) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NNJ
- Type
- protein
- Length
- 606 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cura
- UniProt
- Q6DNF2
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cura | protein | 304 | 43% helix, 18% strand | Q6DNF2 |
| B | Cura | protein | 302 | 42% helix, 17% strand | Q6DNF2 |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 760 | 0.72 | 0.78 | 71 | empty |
| 2 | 653 | 0.70 | 0.78 | 78 | empty |
| 3 | 577 | 0.63 | 0.75 | 53 | empty |
| 4 | 62 | 0.35 | 0.78 | 14 | empty |
| 5 | 60 | 0.32 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 987 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3NNJ · Halogenase domain from CurA module (apo Hal) · 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 Q6DNF2
- Elsewhere: RCSB PDB 3NNJ · PDBe 3NNJ · UniProt Q6DNF2
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