MolNFT v1 · #183640 · protein

Crystal structure of the tick-borne encephalitis virus NS3 helicase in complex with ADP-pi

7NXU · NS3 helicase domain: “Crystal structure of the tick-borne encephalitis virus NS3 helicase in complex with ADP-pi”. X-ray diffraction, 4 ligands (ADP, MN, NA), 2 pockets (best druggability 0.79). MolNFT v1 #183640 on GenesisL1: 3D…

PDB: 7NXU
Type: protein
Length: 427 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NS3 helicase domain
EC: 3.6.4.13
UniProt: A0A2S1PWV0
Ligands: ADP, MN, NA, PO4
Pockets: 2 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NS3 helicase domain (EC 3.6.4.13)	protein	427	34% helix, 18% strand	A0A2S1PWV0

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · chains A
MN · Manganese (II) ion · metal · chains A
NA · Sodium ion · metal · chains A
PO4 · Phosphate ion · ion · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	923	0.79	0.81	69	empty
2	178	0.51	0.78	35	PO4, MN, ADP

Compared structures

7NXU · Crystal structure of the tick-borne encephalitis virus NS3 helicase in complex with ADP-Pi · 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 A0A2S1PWV0
Elsewhere: RCSB PDB 7NXU · PDBe 7NXU · UniProt A0A2S1PWV0

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