MolNFT v1 · #187494 · protein

Papain-like protease of SARS cov-2, C111S mutant, in complex with PLP_SNYDER608 inhibitor

7SGU: “Papain-like protease of SARS cov-2, C111S mutant, in complex with PLP_SNYDER608 inhibitor”. X-ray diffraction, 3 ligands (9EI, ZN, CL), 2 pockets (best druggability 0.40). MolNFT v1 #187494 on GenesisL1: 3D structure, binding sites…

PDB: 7SGU
Type: protein
Length: 313 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Papain-like protease
EC: 3.4.19.12
UniProt: P0DTC1
Ligands: 9EI, ZN, CL
Pockets: 2 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Papain-like protease (EC 3.4.19.12)	protein	313	26% helix, 36% strand	P0DTC1

Ligands and binding sites

9EI · 5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide · ligand · chains A
ZN · Zinc ion · metal · chains A
CL · Chloride ion · ion · 2 copies · chains A
FMT · Formic acid · additive · 2 copies · 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	99	0.40	0.76	25	empty
2	87	0.34	0.74	17	9EI

Compared structures

7SGU · Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder608 inhibitor · 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 7SGU · PDBe 7SGU · UniProt P0DTC1

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