MolNFT v1 · #134796 · protein

Crystal structure of the zika virus NS2B-NS3 protease in super-open conformation

5TFN · NS2B-NS3 protease CHIMERA,GENOME polyprotein: “Crystal structure of the zika virus NS2B-NS3 protease in super-open conformation”. X-ray diffraction, 4 pockets (best druggability 0.73). MolNFT v1 #134796 on GenesisL1: 3D structure…

PDB: 5TFN
Type: protein
Length: 325 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NS2B-NS3 protease CHIMERA,GENOME polyprotein
UniProt: A0A160JCU6, Q32ZE1
Pockets: 4 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 2% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NS2B-NS3 protease CHIMERA,GENOME polyprotein	protein	165	2% helix, 46% strand	A0A160JCU6, Q32ZE1
B	NS2B-NS3 protease CHIMERA,GENOME polyprotein	protein	160	3% helix, 47% strand	A0A160JCU6, Q32ZE1

Pockets

4 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	487	0.73	0.82	65	empty
2	155	0.50	0.78	26	empty
3	111	0.46	0.79	17	empty
4	86	0.44	0.80	17	empty

Interfaces

1 interface between chains.

A–B · 797 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5TFN · CRYSTAL STRUCTURE OF THE ZIKA VIRUS NS2B-NS3 PROTEASE in super-open conformation · 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 A0A160JCU6
Every structure of UniProt Q32ZE1
Elsewhere: RCSB PDB 5TFN · PDBe 5TFN · UniProt A0A160JCU6 · UniProt Q32ZE1

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