MolNFT v1 · #133016 · protein

Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with Z425387594

5RHL: “Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in complex with Z425387594”. X-ray diffraction, 2 ligands (H04, PO4), 3 pockets (best druggability 0.80). MolNFT v1 #133016 on GenesisL1: 3D structure…

PDB: 5RHL
Type: protein
Length: 435 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NS3 helicase
EC: 3.4.21.91, 3.6.1.15, 3.6.4.13
UniProt: Q32ZE1
Ligands: H04, PO4
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NS3 helicase (EC 3.4.21.91, 3.6.1.15, 3.6.4.13)	protein	435	34% helix, 19% strand	Q32ZE1

Ligands and binding sites

H04 · 1-(2-ethoxyphenyl)piperazine · ligand · chains A
PO4 · Phosphate ion · ion · 2 copies · chains A
EDO · 1,2-ethanediol · additive · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	986	0.80	0.81	67	EDO, PO4, MPD
2	201	0.59	0.81	37	PO4
3	54	0.32	0.76	16	empty

Compared structures

5RHL · PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in… · 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 Q32ZE1
Elsewhere: RCSB PDB 5RHL · PDBe 5RHL · UniProt Q32ZE1

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.