Research workbench
Crystal structure of dmdd, a crotonase superfamily enzyme that catalyzes the hydration and hydrolysis of methylthioacryloyl-CoA
Analyse Crystal structure of dmdd, a crotonase superfamily enzyme that catalyzes the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IZB
- Type
- protein
- Length
- 495 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA HYDRATASE/ISOMERASE family protein
- UniProt
- Q5LLW6
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-CoA HYDRATASE/ISOMERASE family protein | protein | 245 | 50% helix, 16% strand | Q5LLW6 |
| B | Enoyl-CoA HYDRATASE/ISOMERASE family protein | protein | 250 | 52% helix, 15% strand | Q5LLW6 |
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 | 897 | 0.78 | 0.81 | 79 | empty |
| 2 | 104 | 0.59 | 0.86 | 21 | empty |
| 3 | 53 | 0.56 | 0.90 | 19 | empty |
| 4 | 150 | 0.45 | 0.76 | 27 | empty |
| 5 | 137 | 0.44 | 0.76 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 670 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4IZB · Crystal structure of DmdD, a crotonase superfamily enzyme that catalyzes the hydration… · the same entry in another collection · chain A against A, TM-score 1.00
- Q5LLW6 · AlphaFold monomer V2.0 prediction for methylthioacryloyl-CoA hydratase (Q5LLW6) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q5LLW6
- Elsewhere: RCSB PDB 4IZB · PDBe 4IZB · UniProt Q5LLW6
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