Manganese in PDB 7blv: Crystal Structure of the Tick-Borne Encephalitis Virus NS3 Helicase in Complex with Adp

All present enzymatic activity of Crystal Structure of the Tick-Borne Encephalitis Virus NS3 Helicase in Complex with Adp:
3.6.4.13;

The structure of Crystal Structure of the Tick-Borne Encephalitis Virus NS3 Helicase in Complex with Adp, PDB code: 7blv was solved by P.D.Anindita, P.Grinkevich, Z.Franta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.78 / 2.10
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	73.12, 73.12, 196.124, 90, 90, 90
R / Rfree (%)	23.3 / 25.9

The binding sites of Manganese atom in the Crystal Structure of the Tick-Borne Encephalitis Virus NS3 Helicase in Complex with Adp (pdb code 7blv). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of the Tick-Borne Encephalitis Virus NS3 Helicase in Complex with Adp, PDB code: 7blv:

Manganese binding site 1 out of 1 in the Crystal Structure of the Tick-Borne Encephalitis Virus NS3 Helicase in Complex with Adp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Tick-Borne Encephalitis Virus NS3 Helicase in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn702 b:58.8 occ:0.70 O A:HOH811 2.2 52.4 1.0 O3B A:ADP701 2.3 66.7 0.8 O A:HOH848 2.3 63.2 1.0 OG1 A:THR206 2.5 71.3 1.0 OE2 A:GLU291 2.5 48.2 1.0 O A:HOH818 3.1 36.5 0.5 PB A:ADP701 3.4 66.4 0.8 CD A:GLU291 3.5 47.1 1.0 O1B A:ADP701 3.5 65.2 0.8 CB A:THR206 3.7 77.7 1.0 OD1 A:ASP290 3.9 44.8 1.0 OE1 A:GLU291 3.9 46.9 1.0 O A:HOH869 4.0 39.1 0.5 N A:THR206 4.2 77.8 1.0 O2B A:ADP701 4.4 64.8 0.8 OD2 A:ASP290 4.5 53.8 1.0 O1A A:ADP701 4.5 101.7 0.8 O3A A:ADP701 4.5 72.7 0.8 CB A:LYS205 4.5 83.3 1.0 CA A:THR206 4.5 79.1 1.0 CG A:ASP290 4.6 51.3 1.0 CG A:GLU291 4.6 37.6 1.0 CG2 A:THR206 4.7 72.5 1.0 PA A:ADP701 4.9 91.8 0.8

P.D.Anindita, M.Halbeisen, D.Reha, R.Tuma, Z.Franta. Mechanistic Insight Into the Rna-Stimulated Atpase Activity of Tick-Borne Encephalitis Virus Helicase. J.Biol.Chem. V. 298 02383 2022.
ISSN: ESSN 1083-351X
PubMed: 35987382
DOI: 10.1016/J.JBC.2022.102383