Magnesium in PDB 3wrx: Crystal Structure of Heliase Complex 1

All present enzymatic activity of Crystal Structure of Heliase Complex 1:
3.6.4.13;

The structure of Crystal Structure of Heliase Complex 1, PDB code: 3wrx was solved by H.Matsumura, E.Katoh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.31 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.215, 133.710, 195.220, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24

The structure of Crystal Structure of Heliase Complex 1 also contains other interesting chemical elements:

Caesium

(Cs)

18 atoms

The binding sites of Magnesium atom in the Crystal Structure of Heliase Complex 1 (pdb code 3wrx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Heliase Complex 1, PDB code: 3wrx:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Heliase Complex 1


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 Heliase Complex 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:17.4 occ:1.00 O A:MET85 2.2 29.3 1.0 O C:HOH1477 2.2 18.2 1.0 O C:ASN978 2.4 24.7 1.0 O A:GLY86 2.4 28.8 1.0 O C:TYR981 2.5 28.5 1.0 O C:GLY983 2.8 25.5 1.0 C A:MET85 3.1 29.5 1.0 C A:GLY86 3.3 27.8 1.0 C C:ASN978 3.5 23.0 1.0 C C:GLY983 3.6 24.7 1.0 C C:TYR981 3.6 28.2 1.0 N C:GLY983 3.8 25.8 1.0 N A:GLY86 3.9 27.9 1.0 CA A:GLY86 4.0 27.2 1.0 CA A:MET85 4.0 31.6 1.0 CA C:ASN978 4.1 21.9 1.0 CA C:GLY983 4.3 24.5 1.0 C C:GLU982 4.3 26.6 1.0 N A:THR87 4.3 26.1 1.0 N C:HIS984 4.3 23.9 1.0 O A:THR84 4.4 30.8 1.0 OD1 C:ASN978 4.4 20.9 1.0 CA C:GLU982 4.5 28.8 1.0 CA C:HIS984 4.5 22.3 1.0 N C:GLU982 4.5 27.9 1.0 N C:TYR981 4.6 28.7 1.0 CA C:TYR981 4.6 27.7 1.0 CA A:THR87 4.6 24.4 1.0 CB C:ASN978 4.6 20.9 1.0 N C:GLN979 4.6 24.8 1.0 CA C:GLN979 4.9 28.9 1.0 CG C:ASN978 5.0 22.6 1.0 ND1 C:HIS984 5.0 27.4 1.0 CB C:TYR981 5.0 24.6 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Heliase Complex 1


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 Heliase Complex 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1202 b:11.6 occ:1.00 O2G C:AGS1201 2.0 16.0 1.0 O1B C:AGS1201 2.0 14.8 1.0 O C:HOH1426 2.0 6.7 1.0 O C:HOH1376 2.1 7.0 1.0 OG1 C:THR840 2.1 16.1 1.0 O C:HOH1416 2.2 8.7 1.0 PB C:AGS1201 3.3 16.3 1.0 PG C:AGS1201 3.3 15.6 1.0 CB C:THR840 3.3 16.0 1.0 O3B C:AGS1201 3.8 19.7 1.0 N C:THR840 3.9 16.3 1.0 OD2 C:ASP906 3.9 20.1 1.0 O3G C:AGS1201 4.1 14.9 1.0 O C:HOH1320 4.1 13.0 1.0 O1A C:AGS1201 4.1 27.2 1.0 O3A C:AGS1201 4.1 21.4 1.0 CA C:GLY1044 4.1 19.3 1.0 CA C:THR840 4.2 14.9 1.0 OD1 C:ASP906 4.2 20.8 1.0 O C:HOH1344 4.3 11.6 1.0 OE1 C:GLU907 4.4 25.6 1.0 CG2 C:THR840 4.4 12.6 1.0 O2A C:AGS1201 4.4 25.2 1.0 CE C:LYS839 4.4 21.2 1.0 CB C:LYS839 4.5 18.1 1.0 O2B C:AGS1201 4.5 21.5 1.0 PA C:AGS1201 4.5 21.0 1.0 CG C:ASP906 4.5 20.8 1.0 O C:GLY1044 4.6 17.7 1.0 NZ C:LYS839 4.8 20.3 1.0 S1G C:AGS1201 4.8 16.6 1.0 CE C:MET864 4.8 19.7 1.0 C C:LYS839 4.9 16.9 1.0 C C:GLY1044 4.9 18.3 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Heliase Complex 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Heliase Complex 1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1202 b:22.8 occ:1.00 OG1 D:THR840 1.9 26.9 1.0 O D:HOH1360 2.0 20.1 1.0 O2G D:AGS1201 2.0 14.7 1.0 O1B D:AGS1201 2.1 21.3 1.0 O D:HOH1362 2.1 17.3 1.0 O D:HOH1323 2.4 16.4 1.0 CB D:THR840 3.2 26.9 1.0 PB D:AGS1201 3.4 19.1 1.0 PG D:AGS1201 3.4 20.2 1.0 N D:THR840 3.8 25.4 1.0 O D:HOH1347 3.9 22.4 1.0 O3B D:AGS1201 3.9 22.4 1.0 OD2 D:ASP906 4.0 25.1 1.0 CA D:GLY1044 4.0 29.5 1.0 O3A D:AGS1201 4.0 28.7 1.0 OE2 D:GLU907 4.1 29.2 1.0 O3G D:AGS1201 4.1 21.2 1.0 CA D:THR840 4.1 27.3 1.0 O D:HOH1304 4.1 15.7 1.0 OD1 D:ASP906 4.1 26.4 1.0 O2A D:AGS1201 4.2 34.1 1.0 CG2 D:THR840 4.2 27.4 1.0 CG D:ASP906 4.5 25.5 1.0 O D:GLY1044 4.5 30.5 1.0 O2B D:AGS1201 4.5 21.2 1.0 PA D:AGS1201 4.6 28.6 1.0 CE D:MET864 4.6 41.2 1.0 CB D:LYS839 4.7 24.1 1.0 CE D:LYS839 4.7 29.3 1.0 C D:GLY1044 4.8 30.4 1.0 O1A D:AGS1201 4.8 32.0 1.0 S1G D:AGS1201 4.9 21.4 1.0 C D:LYS839 4.9 24.4 1.0

K.Ishibashi, Y.Kezuka, C.Kobayashi, M.Kato, T.Inoue, T.Nonaka, M.Ishikawa, H.Matsumura, E.Katoh. Structural Basis For the Recognition-Evasion Arms Race Between Tomato Mosaic Virus and the Resistance Gene Tm-1 Proc.Natl.Acad.Sci.Usa 2014.
ISSN: ESSN 1091-6490
DOI: 10.1073/PNAS.1407888111