MolNFT v1 · #119904 · protein

Structure of NS2B-NS3 protease from zika virus caught after self- cleavage

5GJ4 · Serine protease subunit NS2B: “Structure of NS2B-NS3 protease from zika virus caught after self- cleavage”. X-ray diffraction, 1 ligand (CL), 9 pockets (best druggability 0.48). MolNFT v1 #119904 on GenesisL1: 3D structure, binding…

PDB: 5GJ4
Type: protein
Length: 782 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serine protease subunit NS2B; Serine protease NS3
UniProt: A0A142IX72
Ligands: CL
Pockets: 9 · best druggability 0.48

Structure

x-ray diffraction · 3 distinct chains · 2% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E, G	Serine protease subunit NS2B	protein	43	0% helix, 44% strand	A0A142IX72
B, H	Serine protease NS3	protein	153	3% helix, 46% strand	A0A142IX72
D, F	Serine protease NS3	protein	152	3% helix, 47% strand	A0A142IX72

Ligands and binding sites

CL · Chloride ion · ion · 2 copies · chains B, F, D, H

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	229	0.48	0.74	31	empty
2	168	0.47	0.76	23	empty
3	123	0.43	0.77	18	empty
4	109	0.42	0.77	22	empty
5	130	0.42	0.75	22	empty

Interfaces

13 interfaces between chains.

E–F · 2424 Å² buried · 38 hydrogen bonds · protein-protein
G–H · 2371 Å² buried · 43 hydrogen bonds · protein-protein
C–D · 2342 Å² buried · 44 hydrogen bonds · protein-protein
A–B · 2333 Å² buried · 48 hydrogen bonds · protein-protein
D–H · 565 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

5GJ4 · Structure of NS2B-NS3 Protease from Zika Virus caught after self-cleavage · 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 A0A142IX72
Elsewhere: RCSB PDB 5GJ4 · PDBe 5GJ4 · UniProt A0A142IX72

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