MolNFT v1 · #124215 · protein

Crystal structure of zikv NS3 helicase in complex with GTP-gammar S

5K8L: “Crystal structure of zikv NS3 helicase in complex with GTP-gammar S”. X-ray diffraction, 2 ligands (GSP, CL), 5 pockets (best druggability 0.82). MolNFT v1 #124215 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5K8L
Type: protein
Length: 443 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Zikv NS3 helicase
Ligands: GSP, CL
Pockets: 5 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Zikv NS3 helicase	protein	443	33% helix, 19% strand	—

Ligands and binding sites

GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · chains A
CL · Chloride ion · ion · 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

5 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	1130	0.82	0.83	88	CL, MPD
2	436	0.72	0.83	49	GSP
3	59	0.40	0.81	16	empty
4	54	0.30	0.76	13	empty
5	59	0.29	0.75	14	empty

Compared structures

5K8L · Crystal structure of ZIKV NS3 helicase in complex with GTP-gammar S · 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
Elsewhere: RCSB PDB 5K8L · PDBe 5K8L

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