MolNFT v1 · #153054 · protein

Influenza virus nucleoprotein with a specific inhibitor

6J1U: “Influenza virus nucleoprotein with a specific inhibitor”. X-ray diffraction, 1 ligand (B7O), 15 pockets (best druggability 0.79). MolNFT v1 #153054 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6J1U
Type: protein
Length: 1,316 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nucleoprotein
UniProt: Q1K9H2
Ligands: B7O
Pockets: 15 · best druggability 0.79

Structure

x-ray diffraction · 3 distinct chains · 47% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nucleoprotein	protein	437	47% helix, 10% strand	Q1K9H2
B	Nucleoprotein	protein	437	48% helix, 9% strand	Q1K9H2
C	Nucleoprotein	protein	442	48% helix, 9% strand	Q1K9H2

Ligands and binding sites

B7O · ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide · ligand · 3 copies · chains A, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

15 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	967	0.79	0.81	89	empty
2	316	0.63	0.79	44	empty
3	192	0.55	0.80	29	empty
4	149	0.55	0.81	25	empty
5	262	0.54	0.76	36	empty

Interfaces

3 interfaces between chains.

A–B · 2408 Å² buried · 39 hydrogen bonds · protein-protein
A–C · 2095 Å² buried · 35 hydrogen bonds · protein-protein
B–C · 2083 Å² buried · 35 hydrogen bonds · protein-protein

Compared structures

6J1U · influenza virus nucleoprotein with a specific inhibitor · 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 Q1K9H2
Elsewhere: RCSB PDB 6J1U · PDBe 6J1U · UniProt Q1K9H2

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.