MolNFT v1 · #80266 · protein

Structure of the chikungunya virus NSP2 protease

3TRK · Nonstructural polyprotein: “Structure of the chikungunya virus NSP2 protease”. X-ray diffraction, 1 ligand (NA), 2 pockets (best druggability 0.56). MolNFT v1 #80266 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3TRK
Type: protein
Length: 321 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nonstructural polyprotein
UniProt: D7R983
Ligands: NA
Pockets: 2 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nonstructural polyprotein	protein	321	33% helix, 21% strand	D7R983

Ligands and binding sites

NA · Sodium ion · metal · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	143	0.56	0.82	26	empty
2	141	0.43	0.75	30	empty

Modifications

Observed in the structure: 7 modified (engineered).

Compared structures

3TRK · Structure of the Chikungunya virus nsP2 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 D7R983
Elsewhere: RCSB PDB 3TRK · PDBe 3TRK · UniProt D7R983

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