MolNFT v1 · #177073 · protein

Crystal structure of human coronavirus NL63 3C-like protease

7E6M · 3C-like proteinase: “Crystal structure of human coronavirus NL63 3C-like protease”. X-ray diffraction, 5 pockets (best druggability 0.72). MolNFT v1 #177073 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7E6M
Type: protein
Length: 598 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3C-like proteinase
EC: 3.4.22.-
UniProt: P0C6U6
Pockets: 5 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	3C-like proteinase (EC 3.4.22.-)	protein	299	24% helix, 29% strand	P0C6U6

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	956	0.72	0.76	82	empty
2	488	0.65	0.77	62	empty
3	507	0.63	0.76	61	empty
4	146	0.43	0.75	27	empty
5	106	0.38	0.75	19	empty

Interfaces

1 interface between chains.

A–B · 1045 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

7E6M · Crystal structure of Human coronavirus NL63 3C-like protease · 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 P0C6U6
Elsewhere: RCSB PDB 7E6M · PDBe 7E6M · UniProt P0C6U6

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