MolNFT v1 · #62953 · protein
X-ray crystal structure of a type III pentaketide synthase from neurospora crassa
3EUT · Putative uncharacterized protein: “X-ray crystal structure of a type III pentaketide synthase from neurospora crassa”. X-ray diffraction, 1 ligand (DCR), 15 pockets (best druggability 0.81). MolNFT v1 #62953 on GenesisL1: 3D…
- PDB
- 3EUT
- Type
- protein
- Length
- 1,516 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein
- UniProt
- Q7S6N4
- Ligands
- DCR
- Pockets
- 15 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Putative uncharacterized protein | protein | 379 | 45% helix, 23% strand | Q7S6N4 |
Ligands and binding sites
- DCR · icosanoic acid · ligand · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 339 | 0.81 | 0.91 | 66 | DCR |
| 2 | 322 | 0.80 | 0.90 | 61 | DCR |
| 3 | 352 | 0.80 | 0.89 | 65 | empty |
| 4 | 337 | 0.79 | 0.89 | 67 | empty |
| 5 | 496 | 0.59 | 0.73 | 57 | empty |
Interfaces
4 interfaces between chains.
- A–B · 2410 Ų buried · 47 hydrogen bonds · protein-protein
- C–D · 2403 Ų buried · 42 hydrogen bonds · protein-protein
- B–C · 247 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 80 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (oxidation).
Compared structures
- 3EUT · X-ray crystal structure of a type III pentaketide synthase from Neurospora crassa · 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 Q7S6N4
- Elsewhere: RCSB PDB 3EUT · PDBe 3EUT · UniProt Q7S6N4
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