MolNFT v1 · #62256 · protein

Crystal structure of SARS-cov main protease triple mutant STI/A in space group P21

3EA7 · 3C-like proteinase: “Crystal structure of SARS-cov main protease triple mutant STI/A in space group P21”. X-ray diffraction, 8 pockets (best druggability 0.76). MolNFT v1 #62256 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3EA7
Type: protein
Length: 606 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3C-like proteinase
EC: 3.4.22.-
UniProt: P0C6U8
Pockets: 8 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3C-like proteinase (EC 3.4.22.-)	protein	305	25% helix, 29% strand	P0C6U8
B	3C-like proteinase (EC 3.4.22.-)	protein	301	25% helix, 29% strand	P0C6U8

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	990	0.76	0.78	85	empty
2	325	0.60	0.78	48	empty
3	175	0.43	0.74	27	empty
4	140	0.40	0.74	28	empty
5	132	0.40	0.74	26	empty

Interfaces

1 interface between chains.

A–B · 1361 Å² buried · 35 hydrogen bonds · protein-protein

Compared structures

3EA7 · Crystal structure of SARS-CoV main protease triple mutant STI/A in space group P21 · 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 P0C6U8
Elsewhere: RCSB PDB 3EA7 · PDBe 3EA7 · UniProt P0C6U8

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