MolNFT v1 · #175870 · protein

Crystal structure of SARS-cov-2 papain-like protease C111S

7D47 · Non-structural protein 3: “Crystal structure of SARS-cov-2 papain-like protease C111S”. X-ray diffraction, 2 ligands (ZN, CA), 4 pockets (best druggability 0.78). MolNFT v1 #175870 on GenesisL1: 3D structure, binding sites and…

PDB: 7D47
Type: protein
Length: 617 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Non-structural protein 3
EC: 3.4.19.12
UniProt: P0DTC1
Ligands: ZN, CA
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Non-structural protein 3 (EC 3.4.19.12)	protein	314	27% helix, 35% strand	P0DTC1
B	Non-structural protein 3 (EC 3.4.19.12)	protein	303	27% helix, 31% strand	P0DTC1

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B
CA · Calcium ion · metal · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1134	0.78	0.80	94	CA
2	108	0.45	0.78	20	empty
3	77	0.40	0.79	14	empty
4	62	0.35	0.78	23	CA

Interfaces

1 interface between chains.

A–B · 594 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

7D47 · Crystal structure of SARS-CoV-2 Papain-like protease C111S · 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 7D47 · PDBe 7D47 · UniProt P0DTC1

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