MolNFT v1 · #177806 · protein
Crystal structure of apo NMAR_1308 protein at cryogenic temperature
7EUM · Enoyl-CoA HYDRATASE/ISOMERASE: “Crystal structure of apo NMAR_1308 protein at cryogenic temperature”. X-ray diffraction, 13 pockets (best druggability 0.88). MolNFT v1 #177806 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7EUM
- Type
- protein
- Length
- 1,394 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA HYDRATASE/ISOMERASE
- UniProt
- A9A2G5
- Pockets
- 13 · best druggability 0.88
Structure
x-ray diffraction · 6 distinct chains · 52% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Enoyl-CoA HYDRATASE/ISOMERASE | protein | 237 | 54% helix, 17% strand | A9A2G5 |
| D | Enoyl-CoA HYDRATASE/ISOMERASE | protein | 230 | 51% helix, 17% strand | A9A2G5 |
| F | Enoyl-CoA HYDRATASE/ISOMERASE | protein | 229 | 52% helix, 17% strand | A9A2G5 |
| A | Enoyl-CoA HYDRATASE/ISOMERASE | protein | 232 | 53% helix, 16% strand | A9A2G5 |
| E | Enoyl-CoA HYDRATASE/ISOMERASE | protein | 230 | 51% helix, 17% strand | A9A2G5 |
| B | Enoyl-CoA HYDRATASE/ISOMERASE | protein | 236 | 50% helix, 18% strand | A9A2G5 |
Pockets
13 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 738 | 0.88 | 0.92 | 107 | empty |
| 2 | 1136 | 0.84 | 0.85 | 81 | empty |
| 3 | 1079 | 0.83 | 0.84 | 90 | empty |
| 4 | 1182 | 0.83 | 0.84 | 82 | empty |
| 5 | 332 | 0.62 | 0.79 | 31 | empty |
Interfaces
15 interfaces between chains.
- C–A · 1912 Ų buried · 32 hydrogen bonds · protein-protein
- D–E · 1842 Ų buried · 37 hydrogen bonds · protein-protein
- C–B · 1824 Ų buried · 34 hydrogen bonds · protein-protein
- D–F · 1821 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 1785 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 7EUM · Crystal structure of apo Nmar_1308 protein at cryogenic temperature · the same entry in another collection · chain C against C, 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 A9A2G5
- Elsewhere: RCSB PDB 7EUM · PDBe 7EUM · UniProt A9A2G5
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