MolNFT v1 · #107509 · protein
N-terminal globular domain of the rsv nucleoprotein in complex with the nucleoprotein phosphoprotein interaction inhibitor M72
4UCE: “N-terminal globular domain of the rsv nucleoprotein in complex with the nucleoprotein phosphoprotein…”. X-ray diffraction, 2 ligands (MZS, SO4), 6 pockets (best druggability 0.66). MolNFT v1 #107509 on GenesisL1: 3D structure…
- PDB
- 4UCE
- Type
- protein
- Length
- 435 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nucleoprotein
- UniProt
- P03418
- Ligands
- MZS, SO4
- Pockets
- 6 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nucleoprotein | protein | 218 | 61% helix, 9% strand | P03418 |
| B | Nucleoprotein | protein | 217 | 63% helix, 6% strand | P03418 |
Ligands and binding sites
- MZS · 1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 588 | 0.66 | 0.76 | 52 | empty |
| 2 | 86 | 0.46 | 0.81 | 18 | empty |
| 3 | 82 | 0.38 | 0.77 | 16 | empty |
| 4 | 59 | 0.31 | 0.75 | 16 | empty |
| 5 | 56 | 0.29 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 456 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4UCE · N-terminal globular domain of the RSV Nucleoprotein in complex with the Nucleoprotein… · 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 P03418
- Elsewhere: RCSB PDB 4UCE · PDBe 4UCE · UniProt P03418
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