MolNFT v1 · #188514 · protein

The crystal structure of SARS-cov-2 omicron mpro (P132H) in complex with masitinib

7TVX · 3C-like proteinase NSP5: “The crystal structure of SARS-cov-2 omicron mpro (P132H) in complex with masitinib”. X-ray diffraction, 1 ligand (G65), 2 pockets (best druggability 0.49). MolNFT v1 #188514 on GenesisL1: 3D structure…

PDB: 7TVX
Type: protein
Length: 300 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3C-like proteinase NSP5
EC: 3.4.22.69
UniProt: P0DTC1
Ligands: G65
Pockets: 2 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3C-like proteinase NSP5 (EC 3.4.22.69)	protein	300	26% helix, 29% strand	P0DTC1

Ligands and binding sites

G65 · Masitinib · ligand · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	188	0.49	0.76	32	G65
2	123	0.38	0.74	23	empty

Compared structures

7TVX · The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with masitinib · 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 P0DTC1
Elsewhere: RCSB PDB 7TVX · PDBe 7TVX · UniProt P0DTC1

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