Research workbench
Crystal structure of enoyl-CoA hydratase mycobacterium smegmatis
Analyse Crystal structure of enoyl-CoA hydratase mycobacterium smegmatis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3MYB
- Type
- protein
- Length
- 775 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA hydratase
- EC
- 4.-.-.-
- UniProt
- A0QST4
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Enoyl-CoA hydratase (EC 4.-.-.-) | protein | 259 | 54% helix, 15% strand | A0QST4 |
| B | Enoyl-CoA hydratase (EC 4.-.-.-) | protein | 257 | 54% helix, 16% strand | A0QST4 |
Ligands and binding sites
- GOL · Glycerol · additive · 4 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1178 | 0.81 | 0.82 | 84 | empty |
| 2 | 188 | 0.58 | 0.80 | 36 | GOL |
| 3 | 189 | 0.57 | 0.80 | 34 | GOL |
| 4 | 177 | 0.57 | 0.80 | 35 | GOL |
| 5 | 61 | 0.30 | 0.75 | 16 | empty |
Interfaces
3 interfaces between chains.
- B–C · 2186 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 2174 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 2138 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 3MYB · Crystal structure of enoyl-coa hydratase mycobacterium smegmatis · 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 A0QST4
- Elsewhere: RCSB PDB 3MYB · PDBe 3MYB · UniProt A0QST4
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