MolNFT v1 · #133655 · protein

Pandda analysis group deposition of ground-state model of SARS-cov-2 NSP3 macrodomain

5S73 · Non-structural protein 3: “Pandda analysis group deposition of ground-state model of SARS-cov-2 NSP3 macrodomain”. X-ray diffraction, 4 pockets (best druggability 0.67). MolNFT v1 #133655 on GenesisL1: 3D structure, binding sites…

PDB: 5S73
Type: protein
Length: 334 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Non-structural protein 3
EC: 3.4.19.121, 3.4.22.-
UniProt: P0DTD1
Pockets: 4 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 41% 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	165	41% helix, 19% strand	P0DTD1
B	Non-structural protein 3 (EC 3.4.19.121, 3.4.22.-)	protein	169	42% helix, 19% strand	P0DTD1

Pockets

4 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	446	0.67	0.79	34	empty
2	132	0.52	0.80	25	empty
3	140	0.52	0.79	24	empty
4	50	0.23	0.72	13	empty

Interfaces

1 interface between chains.

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

Compared structures

5S73 · PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain · 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 P0DTD1
Elsewhere: RCSB PDB 5S73 · PDBe 5S73 · UniProt P0DTD1

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