MolNFT v1 · #98789 · protein
Crystal structure of a enoyl-CoA hydratase from mycobacterium avium subsp. paratuberculosis K-10
4LK5: “Crystal structure of a enoyl-CoA hydratase from mycobacterium avium subsp. paratuberculosis K-10”. X-ray diffraction, 7 pockets (best druggability 0.84). MolNFT v1 #98789 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4LK5
- Type
- protein
- Length
- 728 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA hydratase
- UniProt
- Q73WM1
- Pockets
- 7 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 51% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-CoA hydratase | protein | 240 | 50% helix, 18% strand | Q73WM1 |
| B | Enoyl-CoA hydratase | protein | 242 | 50% helix, 17% strand | Q73WM1 |
| C | Enoyl-CoA hydratase | protein | 246 | 53% helix, 17% strand | Q73WM1 |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 402 | 0.84 | 0.92 | 50 | empty |
| 2 | 380 | 0.67 | 0.80 | 51 | empty |
| 3 | 204 | 0.57 | 0.80 | 32 | empty |
| 4 | 179 | 0.51 | 0.77 | 23 | empty |
| 5 | 66 | 0.42 | 0.81 | 19 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1361 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 1360 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1246 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 modified (engineered).
Compared structures
- 4LK5 · Crystal structure of a enoyl-CoA hydratase from Mycobacterium avium subsp.… · 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 Q73WM1
- Elsewhere: RCSB PDB 4LK5 · PDBe 4LK5 · UniProt Q73WM1
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