MolNFT v1 · #176434 · protein
Crystal structure of two pericyclases catalyzing [4+2] cycloaddition
7DMN · Diels-alderase FSA2: “Crystal structure of two pericyclases catalyzing [4+2] cycloaddition”. X-ray diffraction, 2 pockets (best druggability 0.73). MolNFT v1 #176434 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7DMN
- Type
- protein
- Length
- 369 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Diels-alderase FSA2
- EC
- 5.5.1.-
- UniProt
- A0A0E4AYE7
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Diels-alderase FSA2 (EC 5.5.1.-) | protein | 369 | 2% helix, 54% strand | A0A0E4AYE7 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 448 | 0.73 | 0.83 | 50 | GOL |
| 2 | 57 | 0.29 | 0.74 | 19 | empty |
Compared structures
- 7DMN · Crystal structure of two pericyclases catalyzing [4+2] cycloaddition · 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 A0A0E4AYE7
- Elsewhere: RCSB PDB 7DMN · PDBe 7DMN · UniProt A0A0E4AYE7
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