Research workbench
Crystal structure of probable enoyl-CoA dehydratase from thermus thermophilus HB8
Analyse Crystal structure of probable enoyl-CoA dehydratase from thermus thermophilus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1WZ8
- Type
- protein
- Length
- 1,578 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA hydratase
- EC
- 4.2.1.17
- UniProt
- Q5SLS5
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Enoyl-CoA hydratase (EC 4.2.1.17) | protein | 263 | 57% helix, 16% strand | Q5SLS5 |
Ligands and binding sites
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 8 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 230 | 0.82 | 0.95 | 24 | empty |
| 2 | 1081 | 0.81 | 0.82 | 90 | empty |
| 3 | 1180 | 0.80 | 0.82 | 84 | empty |
| 4 | 1021 | 0.80 | 0.81 | 86 | empty |
| 5 | 249 | 0.72 | 0.86 | 33 | MPD |
Interfaces
12 interfaces between chains.
- D–F · 1498 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 1494 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 1467 Ų buried · 18 hydrogen bonds · protein-protein
- D–E · 1464 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 1458 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 1WZ8 · Crystal Structure of Probable Enoyl-CoA Dehydratase from Thermus Thermophilus HB8 · 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 Q5SLS5
- Elsewhere: RCSB PDB 1WZ8 · PDBe 1WZ8 · UniProt Q5SLS5
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