Magnesium in PDB 6hpq: Crystal Structure of Human PIF1 Helicase in Complex with Amp-Pnp, Brominated Crystal Form.

All present enzymatic activity of Crystal Structure of Human PIF1 Helicase in Complex with Amp-Pnp, Brominated Crystal Form.:
3.6.4.12;

The structure of Crystal Structure of Human PIF1 Helicase in Complex with Amp-Pnp, Brominated Crystal Form., PDB code: 6hpq was solved by V.M.Ledikov, S.Dehghani-Tafti, B.Bax, C.M.Sanders, A.A.Antson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.37 / 1.43
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.250, 76.820, 142.540, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 26.6

The structure of Crystal Structure of Human PIF1 Helicase in Complex with Amp-Pnp, Brominated Crystal Form. also contains other interesting chemical elements:

Bromine

(Br)

9 atoms

The binding sites of Magnesium atom in the Crystal Structure of Human PIF1 Helicase in Complex with Amp-Pnp, Brominated Crystal Form. (pdb code 6hpq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Human PIF1 Helicase in Complex with Amp-Pnp, Brominated Crystal Form., PDB code: 6hpq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human PIF1 Helicase in Complex with Amp-Pnp, Brominated Crystal Form.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human PIF1 Helicase in Complex with Amp-Pnp, Brominated Crystal Form. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:8.7 occ:1.00 O1G A:ANP801 2.0 9.6 1.0 O A:HOH1098 2.1 8.6 1.0 O1B A:ANP801 2.1 10.3 1.0 O A:HOH1110 2.1 9.8 1.0 O A:HOH1051 2.2 9.9 1.0 OG A:SER235 2.2 9.1 1.0 CB A:SER235 3.2 8.3 1.0 PG A:ANP801 3.2 9.4 1.0 PB A:ANP801 3.3 9.2 1.0 N3B A:ANP801 3.4 9.1 1.0 N A:SER235 4.0 8.8 1.0 OE2 A:GLU307 4.0 12.5 1.0 O3G A:ANP801 4.0 9.4 1.0 O A:HOH922 4.0 10.6 1.0 OD2 A:ASP306 4.1 10.3 1.0 CA A:GLY559 4.2 13.1 1.0 CA A:SER235 4.2 8.9 1.0 O A:HOH959 4.2 19.1 1.0 O1A A:ANP801 4.3 12.7 1.0 OD1 A:ASP306 4.3 9.6 1.0 O2B A:ANP801 4.3 9.1 1.0 O3A A:ANP801 4.3 10.0 1.0 O2G A:ANP801 4.4 9.8 1.0 O A:GLY559 4.4 13.7 1.0 PA A:ANP801 4.6 11.0 1.0 O2A A:ANP801 4.6 13.2 1.0 CG A:ASP306 4.6 9.0 1.0 CD A:GLU307 4.8 12.9 1.0 C A:GLY559 4.9 12.3 1.0 CB A:LYS234 4.9 10.3 0.3 CB A:LYS234 4.9 8.2 0.7 CE A:LYS234 5.0 16.0 0.3

Magnesium binding site 2 out of 2 in the Crystal Structure of Human PIF1 Helicase in Complex with Amp-Pnp, Brominated Crystal Form.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human PIF1 Helicase in Complex with Amp-Pnp, Brominated Crystal Form. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg802 b:9.0 occ:1.00 O3G B:ANP801 2.0 9.7 1.0 O B:HOH1110 2.1 8.1 1.0 O B:HOH1022 2.1 10.0 1.0 O2B B:ANP801 2.1 9.4 1.0 O B:HOH1100 2.1 9.6 1.0 OG B:SER235 2.2 9.2 1.0 CB B:SER235 3.2 8.5 1.0 PG B:ANP801 3.3 9.3 1.0 PB B:ANP801 3.3 9.0 1.0 N3B B:ANP801 3.4 9.0 1.0 OE2 B:GLU307 3.9 11.6 1.0 N B:SER235 4.0 8.9 1.0 O1G B:ANP801 4.0 10.0 1.0 O B:HOH919 4.1 11.2 1.0 OD2 B:ASP306 4.1 10.2 1.0 CA B:GLY559 4.1 12.6 1.0 CA B:SER235 4.2 8.9 1.0 O2A B:ANP801 4.3 12.5 1.0 O B:HOH949 4.3 18.8 1.0 OD1 B:ASP306 4.3 9.6 1.0 O3A B:ANP801 4.3 10.1 1.0 O1B B:ANP801 4.3 8.7 1.0 O2G B:ANP801 4.4 9.4 1.0 O B:GLY559 4.4 15.0 1.0 PA B:ANP801 4.6 10.7 1.0 CG B:ASP306 4.6 9.6 1.0 O1A B:ANP801 4.6 12.8 1.0 CD B:GLU307 4.7 11.1 1.0 C B:GLY559 4.9 11.6 1.0 CB B:LYS234 4.9 6.6 0.5 CB B:LYS234 4.9 9.9 0.5

S.Dehghani-Tafti, V.Levdikov, A.A.Antson, B.Bax, C.M.Sanders. Structural and Functional Analysis of the Nucleotide and Dna Binding Activities of the Human PIF1 Helicase. Nucleic Acids Res. V. 47 3208 2019.
ISSN: ESSN 1362-4962
PubMed: 30698796
DOI: 10.1093/NAR/GKZ028