Research workbench
Crystal structure of iron free 1,6-apd, 2-animophenol-1,6-dioxygenase
Analyse Crystal structure of iron free 1,6-apd, 2-animophenol-1,6-dioxygenase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3VSG
- Type
- protein
- Length
- 1,144 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit; 2-amino-5-chlorophenol…
- EC
- 1.13.11.8
- UniProt
- Q38M40, Q38M41
- Pockets
- 9 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit (EC 1.13.11.8) | protein | 270 | 42% helix, 25% strand | Q38M40 |
| B | 2-amino-5-chlorophenol 1,6-dioxygenase beta subunit (EC 1.13.11.8) | protein | 304 | 39% helix, 26% strand | Q38M41 |
| D | 2-amino-5-chlorophenol 1,6-dioxygenase beta subunit (EC 1.13.11.8) | protein | 300 | 39% helix, 24% strand | Q38M41 |
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 203 | 0.85 | 0.98 | 24 | empty |
| 2 | 1187 | 0.82 | 0.83 | 89 | empty |
| 3 | 1136 | 0.82 | 0.83 | 84 | empty |
| 4 | 107 | 0.62 | 0.88 | 26 | empty |
| 5 | 105 | 0.56 | 0.85 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1577 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 1539 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 1075 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3VSG · Crystal structure of iron free 1,6-APD, 2-Animophenol-1,6-Dioxygenase · 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 Q38M40
- Every structure of UniProt Q38M41
- Elsewhere: RCSB PDB 3VSG · PDBe 3VSG · UniProt Q38M40 · UniProt Q38M41
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