MolNFT v1 · #114903 · protein

Crystal structure of MERS coronavirus main protease in spacegroup C2221

5C3N · ORF1A protein: “Crystal structure of MERS coronavirus main protease in spacegroup C2221”. X-ray diffraction, 6 pockets (best druggability 0.78). MolNFT v1 #114903 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5C3N
Type: protein
Length: 601 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ORF1A protein
UniProt: A0A0A7E693
Pockets: 6 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 23% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ORF1A protein	protein	301	22% helix, 28% strand	A0A0A7E693
B	ORF1A protein	protein	300	23% helix, 27% strand	A0A0A7E693

Pockets

6 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	1015	0.78	0.80	76	empty
2	222	0.60	0.81	45	empty
3	264	0.56	0.77	46	empty
4	227	0.50	0.75	31	empty
5	155	0.46	0.76	24	empty

Interfaces

1 interface between chains.

A–B · 1277 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

5C3N · Crystal structure of MERS coronavirus main protease in spacegroup C2221 · 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 A0A0A7E693
Elsewhere: RCSB PDB 5C3N · PDBe 5C3N · UniProt A0A0A7E693

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