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Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 9 (P43 crystal form)

Analyse Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 9 (P43 crystal form) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7TWQ
Type: protein
Length: 337 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 0.9
Source: Severe acute respiratory syndrome coronavirus 2
Molecule: Non-structural protein 3
EC: 3.4.19.121, 3.4.22.-
UniProt: P0DTD1
Pockets: 3 · best druggability 0.64

Structure

x-ray diffraction · resolution 0.9 · 2 distinct chains · 40% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Non-structural protein 3 (EC 3.4.19.121, 3.4.22.-)	protein	168	40% helix, 19% strand	P0DTD1
B	Non-structural protein 3 (EC 3.4.19.121, 3.4.22.-)	protein	169	41% helix, 19% strand	P0DTD1

Pockets

3 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	419	0.64	0.78	33	empty
2	162	0.54	0.80	29	empty
3	152	0.54	0.80	29	empty

Interfaces

1 interface between chains.

A–B · 508 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

7TWQ · Crystal structure of SARS-cov-2 NSP3 macrodomain at pH 9 (P43 crystal form) · the same entry in another collection · chain A against A, TM-score 1.00

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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 7TWQ · PDBe 7TWQ · UniProt P0DTD1

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