MolNFT v1 · #171227 · protein

Crystal structure of SARS-cov macrodomain II in complex with human PAIP1

6YXJ · Non-structural protein 3: “Crystal structure of SARS-cov macrodomain II in complex with human PAIP1”. X-ray diffraction, 1 pocket (best druggability 0.53). MolNFT v1 #171227 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6YXJ
Type: protein
Length: 346 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Non-structural protein 3; Polyadenylate-binding protein-interacting protein 1
EC: 3.4.19.12, 3.4.22.-
UniProt: P0C6U8, Q9H074
Pockets: 1 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 60% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Non-structural protein 3 (EC 3.4.19.12, 3.4.22.-)	protein	128	27% helix, 18% strand	P0C6U8
B	Polyadenylate-binding protein-interacting protein 1	protein	218	78% helix, 2% strand	Q9H074

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	181	0.53	0.78	35	empty

Interfaces

1 interface between chains.

A–B · 819 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

6YXJ · Crystal structure of SARS-CoV macrodomain II in complex with human Paip1 · the same entry in another collection · chain A against A, TM-score 1.00
Q9H074 · AlphaFold monomer V2.0 prediction for polyadenylate-binding protein- interacting protein… · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P0C6U8
Every structure of UniProt Q9H074
Elsewhere: RCSB PDB 6YXJ · PDBe 6YXJ · UniProt P0C6U8 · UniProt Q9H074

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