MolNFT v1 · #111767 · protein
ECHA5 mycobacterium tuberculosis
4Z0M · Enoyl-CoA hydratase: “ECHA5 mycobacterium tuberculosis”. X-ray diffraction, 7 pockets (best druggability 0.69). MolNFT v1 #111767 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Z0M
- Type
- protein
- Length
- 710 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA hydratase
- EC
- 4.2.1.17
- UniProt
- I6Y4E8
- Pockets
- 7 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 45% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-CoA hydratase (EC 4.2.1.17) | protein | 241 | 46% helix, 18% strand | I6Y4E8 |
| B | Enoyl-CoA hydratase (EC 4.2.1.17) | protein | 239 | 44% helix, 18% strand | I6Y4E8 |
| C | Enoyl-CoA hydratase (EC 4.2.1.17) | protein | 230 | 43% helix, 19% strand | I6Y4E8 |
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.69 | 0.98 | 18 | empty |
| 2 | 53 | 0.68 | 0.97 | 30 | empty |
| 3 | 157 | 0.68 | 0.88 | 26 | empty |
| 4 | 50 | 0.68 | 0.97 | 20 | empty |
| 5 | 53 | 0.65 | 0.95 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1775 Ų buried · 32 hydrogen bonds · protein-protein
- A–B · 1674 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 1550 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 4Z0M · EchA5 Mycobacterium tuberculosis · 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 I6Y4E8
- Elsewhere: RCSB PDB 4Z0M · PDBe 4Z0M · UniProt I6Y4E8
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