MolNFT v1 · #114244 · protein

Crystal structure of MS8104

5B6O · 3C-like proteinase: “Crystal structure of MS8104”. X-ray diffraction, 6 pockets (best druggability 0.76). MolNFT v1 #114244 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5B6O
Type: protein
Length: 611 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3C-like proteinase
EC: 3.4.22.69
UniProt: P0C6X7
Pockets: 6 · 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 3.4.22.69)	protein	310	25% helix, 29% strand	P0C6X7
B	3C-like proteinase (EC 3.4.22.69)	protein	301	25% helix, 29% strand	P0C6X7

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	1040	0.76	0.78	83	empty
2	453	0.61	0.75	59	empty
3	218	0.51	0.76	30	empty
4	88	0.47	0.81	25	empty
5	172	0.46	0.76	26	empty

Interfaces

1 interface between chains.

A–B · 1316 Å² buried · 41 hydrogen bonds · protein-protein

Compared structures

5B6O · Crystal structure of MS8104 · 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 P0C6X7
Elsewhere: RCSB PDB 5B6O · PDBe 5B6O · UniProt P0C6X7

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