MolNFT v1 · #107507 · protein
N-terminal globular domain of the rsv nucleoprotein in complex with the nucleoprotein phosphoprotein interaction inhibitor M76
4UCC: “N-terminal globular domain of the rsv nucleoprotein in complex with the nucleoprotein phosphoprotein…”. X-ray diffraction, 1 ligand (ZKW), 5 pockets (best druggability 0.65). MolNFT v1 #107507 on GenesisL1: 3D structure, binding…
- PDB
- 4UCC
- Type
- protein
- Length
- 451 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nucleoprotein
- UniProt
- P03418
- Ligands
- ZKW
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 61% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nucleoprotein | protein | 223 | 61% helix, 9% strand | P03418 |
| B | Nucleoprotein | protein | 228 | 60% helix, 10% strand | P03418 |
Ligands and binding sites
- ZKW · 1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 535 | 0.65 | 0.77 | 46 | empty |
| 2 | 244 | 0.56 | 0.77 | 29 | empty |
| 3 | 101 | 0.40 | 0.76 | 19 | empty |
| 4 | 70 | 0.34 | 0.76 | 15 | ZKW |
| 5 | 58 | 0.32 | 0.76 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 480 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4UCC · 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 4UCC · PDBe 4UCC · UniProt P03418
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