MolNFT v1 · #108500 · protein
Structure of the luciferase-like enzyme from the nonluminescent zophobas morio mealworm
4W8O · Luciferase-like enzymeamp-CoA-ligase: “Structure of the luciferase-like enzyme from the nonluminescent zophobas morio mealworm”. X-ray diffraction, 1 ligand (CL), 6 pockets (best druggability 0.77). MolNFT v1 #108500 on GenesisL1…
- PDB
- 4W8O
- Type
- protein
- Length
- 841 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Luciferase-like enzymeamp-CoA-ligase
- Ligands
- CL
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Luciferase-like enzymeamp-CoA-ligase | protein | 425 | 30% helix, 25% strand | — |
| B | Luciferase-like enzymeamp-CoA-ligase | protein | 416 | 30% helix, 25% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
- P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 782 | 0.77 | 0.81 | 95 | P33 |
| 2 | 597 | 0.75 | 0.81 | 76 | P33 |
| 3 | 543 | 0.61 | 0.74 | 44 | empty |
| 4 | 77 | 0.40 | 0.79 | 17 | empty |
| 5 | 71 | 0.39 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 159 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4W8O · Structure of the luciferase-like enzyme from the nonluminescent Zophobas morio mealworm · 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
- Elsewhere: RCSB PDB 4W8O · PDBe 4W8O
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