Research workbench

Crystal structure of the human coronavirus 229E HR1 motif in complex with pan-covs inhibitor EK1

Analyse Crystal structure of the human coronavirus 229E HR1 motif in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5ZUV
Type: protein
Length: 378 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Spike GLYCOPROTEIN,SPIKE GLYCOPROTEIN,INHIBITOR EK1
UniProt: P15423
Ligands: CL
Pockets: 2 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Spike GLYCOPROTEIN,SPIKE GLYCOPROTEIN,INHIBITOR EK1	protein	130	77% helix, 0% strand	P15423
B	Spike GLYCOPROTEIN,SPIKE GLYCOPROTEIN,INHIBITOR EK1	protein	129	78% helix, 0% strand	P15423
C	Spike GLYCOPROTEIN,SPIKE GLYCOPROTEIN,INHIBITOR EK1	protein	119	84% helix, 0% strand	P15423

Ligands and binding sites

CL · Chloride ion · ion · 2 copies · chains A, B, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	67	0.76	0.99	15	CL
2	50	0.38	0.81	10	empty

Interfaces

3 interfaces between chains.

B–C · 2190 Å² buried · 17 hydrogen bonds · protein-protein
A–B · 2131 Å² buried · 18 hydrogen bonds · protein-protein
A–C · 2028 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

5ZUV · Crystal Structure of the Human Coronavirus 229E HR1 motif in complex with pan-CoVs… · 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 P15423
Elsewhere: RCSB PDB 5ZUV · PDBe 5ZUV · UniProt P15423

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