Magnesium in PDB 2xhv: Hcv-J4 NS5B Polymerase Point Mutant Orthorhombic Crystal Form

All present enzymatic activity of Hcv-J4 NS5B Polymerase Point Mutant Orthorhombic Crystal Form:
2.7.7.48;

The structure of Hcv-J4 NS5B Polymerase Point Mutant Orthorhombic Crystal Form, PDB code: 2xhv was solved by D.Harrus, N.Ahmed-El-Sayed, P.C.Simister, S.Miller, M.Triconnet, C.H.Hagedorn, K.Mahias, F.A.Rey, T.Astier-Gin, S.Bressanelli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.671 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.740, 107.690, 133.840, 90.00, 90.00, 90.00
R / Rfree (%)	17.07 / 20.03

The binding sites of Magnesium atom in the Hcv-J4 NS5B Polymerase Point Mutant Orthorhombic Crystal Form (pdb code 2xhv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Hcv-J4 NS5B Polymerase Point Mutant Orthorhombic Crystal Form, PDB code: 2xhv:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Hcv-J4 NS5B Polymerase Point Mutant Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Hcv-J4 NS5B Polymerase Point Mutant Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3001 b:0.6 occ:1.00 O A:HOH2155 2.1 74.8 1.0 O A:HOH2156 2.1 45.8 1.0 O A:HOH2210 2.1 44.0 1.0 O A:THR221 2.2 36.1 1.0 OD1 A:ASP220 2.4 54.6 1.0 C A:THR221 3.3 33.4 1.0 OD2 A:ASP318 3.4 61.7 1.0 N A:THR221 3.5 33.1 1.0 CG A:ASP220 3.6 50.9 1.0 CA A:THR221 3.9 31.7 1.0 C A:ASP220 4.1 36.7 1.0 CA A:ASP220 4.3 37.5 1.0 CB A:THR221 4.4 31.5 1.0 OD2 A:ASP220 4.4 58.6 1.0 N A:ARG222 4.4 29.5 1.0 CG A:ASP318 4.4 49.0 1.0 O4 A:SO41002 4.4 36.5 0.5 CB A:ASP220 4.5 37.5 1.0 N A:CYS223 4.5 30.8 1.0 N A:PHE224 4.7 27.4 1.0 O3 A:SO41002 4.7 48.0 0.5 CA A:ARG222 4.7 31.5 1.0 O3 A:SO41002 4.8 54.4 0.6 O4 A:SO41002 4.8 53.3 0.6 CB A:PHE224 4.8 32.4 1.0 O A:ASP220 4.9 40.0 1.0 C A:ARG222 4.9 29.4 1.0

Magnesium binding site 2 out of 2 in the Hcv-J4 NS5B Polymerase Point Mutant Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Hcv-J4 NS5B Polymerase Point Mutant Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg3001 b:57.9 occ:1.00 O B:HOH2397 2.1 41.9 1.0 O B:HOH2396 2.1 81.2 1.0 O B:HOH2212 2.1 40.1 1.0 O B:THR221 2.2 25.7 1.0 OD1 B:ASP220 3.0 44.2 1.0 OD2 B:ASP318 3.3 55.1 1.0 C B:THR221 3.3 25.6 1.0 N B:THR221 3.7 23.1 1.0 CA B:THR221 4.0 23.8 1.0 O4 B:SO41001 4.1 35.8 0.6 CG B:ASP220 4.2 37.8 1.0 O4 B:SO41001 4.3 37.7 0.5 CB B:THR221 4.3 23.5 1.0 N B:CYS223 4.3 23.9 1.0 N B:PHE224 4.3 22.1 1.0 C B:ASP220 4.4 22.1 1.0 CG B:ASP318 4.4 41.6 1.0 N B:ARG222 4.4 26.0 1.0 CB B:PHE224 4.5 22.9 1.0 O3 B:SO41001 4.6 45.5 0.5 CA B:ASP220 4.7 27.1 1.0 CA B:ARG222 4.7 28.3 1.0 C B:ARG222 4.8 23.1 1.0 CB B:ASP318 4.8 24.5 1.0 O3 B:SO41001 4.8 45.0 0.6 S B:SO41001 4.9 45.7 0.5 OD2 B:ASP220 4.9 36.1 1.0 S B:SO41001 4.9 42.9 0.6 O2 B:SO41001 5.0 44.9 0.5

D.Harrus, N.Ahmed-El-Sayed, P.C.Simister, S.Miller, M.Triconnet, C.H.Hagedorn, K.Mahias, F.A.Rey, T.Astier-Gin, S.Bressanelli. Further Insights Into the Roles of Gtp and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of Rna Synthesis J.Biol.Chem. V. 285 32906 2010.
ISSN: ISSN 0021-9258
PubMed: 20729191
DOI: 10.1074/JBC.M110.151316