MolNFT v1 · #75033 · protein
Crystal structure of enoyl-CoA hydratase from mycobacterium smegmatis
3PE8: “Crystal structure of enoyl-CoA hydratase from mycobacterium smegmatis”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.54). MolNFT v1 #75033 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3PE8
- Type
- protein
- Length
- 219 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA hydratase
- EC
- 4.2.1.17
- UniProt
- A0QVP0
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-CoA hydratase (EC 4.2.1.17) | protein | 219 | 50% helix, 19% strand | A0QVP0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 268 | 0.54 | 0.76 | 35 | empty |
| 2 | 106 | 0.40 | 0.76 | 22 | ZN |
| 3 | 57 | 0.31 | 0.76 | 14 | empty |
Compared structures
- 3PE8 · Crystal structure of Enoyl-CoA hydratase from 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 A0QVP0
- Elsewhere: RCSB PDB 3PE8 · PDBe 3PE8 · UniProt A0QVP0
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