Magnesium in PDB 3q60: Crystal Structure of Virulent Allele ROP5B Pseudokinase Domain Bound to Atp

All present enzymatic activity of Crystal Structure of Virulent Allele ROP5B Pseudokinase Domain Bound to Atp:
2.7.11.1;

The structure of Crystal Structure of Virulent Allele ROP5B Pseudokinase Domain Bound to Atp, PDB code: 3q60 was solved by M.L.Reese, J.C.Boothroyd, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.22 / 1.72
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	123.358, 69.329, 43.385, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21

The binding sites of Magnesium atom in the Crystal Structure of Virulent Allele ROP5B Pseudokinase Domain Bound to Atp (pdb code 3q60). 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 Virulent Allele ROP5B Pseudokinase Domain Bound to Atp, PDB code: 3q60:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Virulent Allele ROP5B Pseudokinase Domain Bound to Atp


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 Virulent Allele ROP5B Pseudokinase Domain Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:19.1 occ:1.00 O2A A:ATP600 2.0 20.4 1.0 O A:HOH611 2.1 21.6 1.0 O A:HOH612 2.1 23.3 1.0 OD1 A:ASP407 2.1 17.9 1.0 O A:HOH644 2.2 28.4 1.0 O A:HOH608 2.2 21.2 1.0 CG A:ASP407 3.1 22.9 1.0 PA A:ATP600 3.3 18.6 1.0 OD2 A:ASP407 3.4 24.3 1.0 O3G A:ATP600 3.8 32.5 1.0 NZ A:LYS263 3.9 23.4 1.0 O2G A:ATP600 3.9 29.2 1.0 O1A A:ATP600 4.0 16.1 1.0 O3A A:ATP600 4.0 18.7 1.0 OD1 A:ASN394 4.0 16.2 1.0 NE2 A:HIS389 4.1 23.2 1.0 O A:HOH627 4.3 20.7 1.0 O5' A:ATP600 4.4 16.9 1.0 CB A:ASP407 4.4 16.2 1.0 PG A:ATP600 4.5 37.9 1.0 O A:HOH833 4.5 40.3 1.0 O A:ASP393 4.6 16.8 1.0 CG A:ASN394 4.6 16.4 1.0 O A:HOH834 4.6 40.0 1.0 O3B A:ATP600 4.7 30.6 1.0 CD2 A:HIS389 4.7 23.4 1.0 CB A:ASN394 4.8 12.6 1.0 O7 A:MLI601 5.0 24.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Virulent Allele ROP5B Pseudokinase Domain Bound to Atp


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 Virulent Allele ROP5B Pseudokinase Domain Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:20.5 occ:1.00 O1A A:ATP600 2.0 16.1 1.0 O3G A:ATP600 2.1 32.5 1.0 OD2 A:ASP393 2.1 24.0 1.0 O2B A:ATP600 2.1 22.3 1.0 O A:HOH610 2.2 23.2 1.0 O A:HOH615 2.2 27.5 1.0 PB A:ATP600 3.1 21.7 1.0 CG A:ASP393 3.2 28.1 1.0 PA A:ATP600 3.2 18.6 1.0 PG A:ATP600 3.2 37.9 1.0 O3A A:ATP600 3.5 18.7 1.0 O3B A:ATP600 3.7 30.6 1.0 CB A:ASP393 3.7 17.7 1.0 O1G A:ATP600 3.8 34.6 1.0 O A:HOH644 3.8 28.4 1.0 O2A A:ATP600 4.2 20.4 1.0 O A:HOH758 4.2 34.5 1.0 OD1 A:ASP393 4.2 26.5 1.0 O A:HOH832 4.3 46.7 1.0 O2G A:ATP600 4.4 29.2 1.0 O1B A:ATP600 4.4 24.2 1.0 O5' A:ATP600 4.5 16.9 1.0 O A:HOH649 4.6 34.9 1.0 N A:ASP244 4.6 26.0 1.0 C5' A:ATP600 4.6 15.2 1.0 OD2 A:ASP244 4.6 46.2 1.0 CG A:ASP244 4.7 37.0 1.0 CA A:GLY243 4.8 22.1 1.0 C3' A:ATP600 4.8 17.8 1.0 O A:HOH828 4.9 44.8 1.0

M.L.Reese, J.C.Boothroyd. A Conserved Non-Canonical Motif in the Pseudoactive Site of the ROP5 Pseudokinase Domain Mediates Its Effect on Toxoplasma Virulence. J.Biol.Chem. V. 286 29366 2011.
ISSN: ISSN 0021-9258
PubMed: 21708941
DOI: 10.1074/JBC.M111.253435