MolNFT v1 · #111880 · protein
Prv nuclear egress complex
4Z3U · UL34 protein: “Prv nuclear egress complex”. X-ray diffraction, 3 ligands (ZN, NA, CL), 13 pockets (best druggability 0.75). MolNFT v1 #111880 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Z3U
- Type
- protein
- Length
- 839 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- UL34 protein; UL31
- UniProt
- G3G8R3, G3G955
- Ligands
- ZN, NA, CL
- Pockets
- 13 · best druggability 0.75
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | UL34 protein | protein | 168 | 26% helix, 32% strand | G3G8R3 |
| B | UL31 | protein | 252 | 44% helix, 20% strand | G3G955 |
| C | UL34 protein | protein | 170 | 28% helix, 30% strand | G3G8R3 |
| D | UL31 | protein | 249 | 45% helix, 20% strand | G3G955 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains B, D
- NA · Sodium ion · metal · chains C, D
- CL · Chloride ion · ion · 5 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 738 | 0.75 | 0.80 | 81 | NA, CL |
| 2 | 404 | 0.70 | 0.81 | 64 | CL |
| 3 | 276 | 0.66 | 0.82 | 36 | CL |
| 4 | 304 | 0.60 | 0.78 | 40 | empty |
| 5 | 265 | 0.55 | 0.77 | 45 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1947 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 1883 Ų buried · 25 hydrogen bonds · protein-protein
- B–D · 558 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 255 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 219 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 4Z3U · PRV nuclear egress complex · 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 G3G8R3
- Every structure of UniProt G3G955
- Elsewhere: RCSB PDB 4Z3U · PDBe 4Z3U · UniProt G3G8R3 · UniProt G3G955
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