MolNFT v1 · #98049 · protein

Crystal structure of hcov-OC43 N-ntd complexed with PJ34

4KXJ · Nucleoprotein: “Crystal structure of hcov-OC43 N-ntd complexed with PJ34”. X-ray diffraction, 1 ligand (P34), 2 pockets (best druggability 0.41). MolNFT v1 #98049 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4KXJ
Type: protein
Length: 135 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nucleoprotein
UniProt: Q6SA23
Ligands: P34
Pockets: 2 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nucleoprotein	protein	135	2% helix, 19% strand	Q6SA23

Ligands and binding sites

P34 · N~2~,N~2~-dimethyl-N~1~-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamide · ligand · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	126	0.41	0.75	19	P34
2	68	0.35	0.76	17	empty

Compared structures

4KXJ · Crystal structure of HCoV-OC43 N-NTD complexed with PJ34 · 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 Q6SA23
Elsewhere: RCSB PDB 4KXJ · PDBe 4KXJ · UniProt Q6SA23

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