MolNFT v1 · #62950 · protein
X-ray structural of a type III pentaketide synthase from neurospora crassa
3EUQ · Putative uncharacterized protein: “X-ray structural of a type III pentaketide synthase from neurospora crassa”. X-ray diffraction, 13 pockets (best druggability 0.81). MolNFT v1 #62950 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3EUQ
- 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
- Pockets
- 13 · 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
- P6G · Hexaethylene glycol · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 335 | 0.81 | 0.91 | 61 | P6G |
| 2 | 240 | 0.80 | 0.92 | 43 | P6G |
| 3 | 983 | 0.79 | 0.81 | 113 | empty |
| 4 | 394 | 0.79 | 0.88 | 63 | empty |
| 5 | 599 | 0.74 | 0.81 | 69 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2495 Ų buried · 44 hydrogen bonds · protein-protein
- B–C · 712 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 228 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 52 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 22 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (oxidation).
Compared structures
- 3EUQ · X-ray structural of a type III pentaketide synthase from Neurospora crassa · the same entry in another collection · chain B against B, 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 3EUQ · PDBe 3EUQ · UniProt Q7S6N4
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