MolNFT v1 · #54738 · protein

Non-covalent inhibtors of rhinovirus 3C protease.

2XYA · Picornain 3C: “Non-covalent inhibtors of rhinovirus 3C protease.”. X-ray diffraction, 1 ligand (7L4), 1 pocket (best druggability 0.36). MolNFT v1 #54738 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2XYA
Type: protein
Length: 182 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Picornain 3C
EC: 3.4.22.28
UniProt: P04936
Ligands: 7L4
Pockets: 1 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Picornain 3C (EC 3.4.22.28)	protein	182	14% helix, 48% strand	P04936

Ligands and binding sites

7L4 · 2-phenylquinolin-4-ol · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	60	0.36	0.78	25	empty

Compared structures

2XYA · Non-covalent inhibtors of rhinovirus 3C protease. · 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 P04936
Elsewhere: RCSB PDB 2XYA · PDBe 2XYA · UniProt P04936

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