MolNFT v1 · #155932 · protein
Crystal structure of MERS-cov N-ntd complexed with ligand P4-1
6LNN · Nucleoprotein: “Crystal structure of MERS-cov N-ntd complexed with ligand P4-1”. X-ray diffraction, 1 ligand (EJC), 3 pockets (best druggability 0.61). MolNFT v1 #155932 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6LNN
- Type
- protein
- Length
- 482 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nucleoprotein
- UniProt
- A0A2I2MQD0
- Ligands
- EJC
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 4 distinct chains · 2% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nucleoprotein | protein | 129 | 2% helix, 26% strand | A0A2I2MQD0 |
| B | Nucleoprotein | protein | 128 | 2% helix, 23% strand | A0A2I2MQD0 |
| C | Nucleoprotein | protein | 114 | 3% helix, 25% strand | A0A2I2MQD0 |
| D | Nucleoprotein | protein | 111 | 3% helix, 24% strand | A0A2I2MQD0 |
Ligands and binding sites
- EJC · 5-propoxy-1H-indole · ligand · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 286 | 0.61 | 0.79 | 41 | empty |
| 2 | 70 | 0.45 | 0.82 | 19 | empty |
| 3 | 84 | 0.43 | 0.80 | 19 | empty |
Interfaces
3 interfaces between chains.
- B–D · 613 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 561 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 337 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6LNN · Crystal structure of MERS-CoV N-NTD complexed with ligand P4-1 · 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 A0A2I2MQD0
- Elsewhere: RCSB PDB 6LNN · PDBe 6LNN · UniProt A0A2I2MQD0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.