MolNFT v1 · #74739 · protein
Crystal structure of an enoyl-CoA HYDRATASE/ISOMERASE from mycobacterium avium
3P5M: “Crystal structure of an enoyl-CoA HYDRATASE/ISOMERASE from mycobacterium avium”. X-ray diffraction, 20 pockets (best druggability 0.70). MolNFT v1 #74739 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3P5M
- Type
- protein
- Length
- 1,499 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA HYDRATASE/ISOMERASE
- UniProt
- A0QFV4
- Pockets
- 20 · best druggability 0.70
Structure
x-ray diffraction · 5 distinct chains · 50% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | Enoyl-CoA HYDRATASE/ISOMERASE | protein | 250 | 51% helix, 17% strand | A0QFV4 |
| B | Enoyl-CoA HYDRATASE/ISOMERASE | protein | 252 | 51% helix, 16% strand | A0QFV4 |
| C | Enoyl-CoA HYDRATASE/ISOMERASE | protein | 251 | 49% helix, 16% strand | A0QFV4 |
| D | Enoyl-CoA HYDRATASE/ISOMERASE | protein | 248 | 50% helix, 17% strand | A0QFV4 |
| E | Enoyl-CoA HYDRATASE/ISOMERASE | protein | 248 | 50% helix, 16% strand | A0QFV4 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 155 | 0.70 | 0.89 | 27 | empty |
| 2 | 142 | 0.70 | 0.90 | 27 | empty |
| 3 | 348 | 0.69 | 0.82 | 46 | empty |
| 4 | 529 | 0.67 | 0.78 | 71 | empty |
| 5 | 421 | 0.67 | 0.80 | 59 | empty |
Interfaces
9 interfaces between chains.
- E–F · 1455 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 1434 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 1428 Ų buried · 7 hydrogen bonds · protein-protein
- D–F · 1428 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 1422 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3P5M · Crystal structure of an enoyl-CoA hydratase/isomerase from Mycobacterium avium · the same entry in another collection · chain E against E, 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 A0QFV4
- Elsewhere: RCSB PDB 3P5M · PDBe 3P5M · UniProt A0QFV4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.