MolNFT v1 · #175613 · protein

Ambient-temperature serial femtosecond X-ray crystal structure of SARS-cov-2 main protease at 2.1 a resolution (P212121)

7CWC · 3C-like proteinase: “Ambient-temperature serial femtosecond X-ray crystal structure of SARS-cov-2 main protease at 2.1 a…”. X-ray diffraction, 7 pockets (best druggability 0.74). MolNFT v1 #175613 on GenesisL1: 3D structure, binding…

PDB: 7CWC
Type: protein
Length: 599 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: P0DTD1
Pockets: 7 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 24% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3C-like proteinase (EC 3.4.22.69)	protein	300	24% helix, 29% strand	P0DTD1
B	3C-like proteinase (EC 3.4.22.69)	protein	299	25% helix, 29% strand	P0DTD1

Pockets

7 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	1117	0.74	0.77	82	empty
2	418	0.63	0.77	62	empty
3	201	0.51	0.77	26	empty
4	81	0.43	0.80	19	empty
5	167	0.42	0.74	30	empty

Interfaces

1 interface between chains.

A–B · 1091 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

7CWC · Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main… · the same entry in another collection · chain B against B, 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 P0DTD1
Elsewhere: RCSB PDB 7CWC · PDBe 7CWC · UniProt P0DTD1

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