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Crystal structures of two pericyclases catalyzing [4+2] cycloadditions
Analyse Crystal structures of two pericyclases catalyzing [4+2] cycloadditions in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7DMO
- Type
- protein
- Length
- 2,247 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Diels-alderase
- UniProt
- A0A2Z5XAU0
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 5% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Diels-alderase | protein | 374 | 6% helix, 54% strand | A0A2Z5XAU0 |
| B | Diels-alderase | protein | 375 | 6% helix, 53% strand | A0A2Z5XAU0 |
| C, E | Diels-alderase | protein | 375 | 4% helix, 55% strand | A0A2Z5XAU0 |
| F | Diels-alderase | protein | 374 | 5% helix, 54% strand | A0A2Z5XAU0 |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 467 | 0.77 | 0.85 | 44 | empty |
| 2 | 473 | 0.77 | 0.85 | 46 | empty |
| 3 | 108 | 0.76 | 0.96 | 27 | empty |
| 4 | 397 | 0.76 | 0.85 | 42 | empty |
| 5 | 364 | 0.76 | 0.86 | 42 | empty |
Interfaces
9 interfaces between chains.
- A–C · 723 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 686 Ų buried · 8 hydrogen bonds · protein-protein
- C–F · 686 Ų buried · 3 hydrogen bonds · protein-protein
- D–E · 681 Ų buried · 6 hydrogen bonds · protein-protein
- B–F · 507 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 7DMO · Crystal structures of two pericyclases catalyzing [4+2] cycloadditions · 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 A0A2Z5XAU0
- Elsewhere: RCSB PDB 7DMO · PDBe 7DMO · UniProt A0A2Z5XAU0
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