Magnesium in PDB 1vc9: Crystal Structure of A T.Thermophilus HB8 AP6A Hydrolase E50Q Mutant- MG2+-Atp Complex

The structure of Crystal Structure of A T.Thermophilus HB8 AP6A Hydrolase E50Q Mutant- MG2+-Atp Complex, PDB code: 1vc9 was solved by T.Iwai, N.Nakagawa, S.Kuramitsu, R.Masui, Riken Structuralgenomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.80 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.900, 55.121, 113.869, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 25.2

The binding sites of Magnesium atom in the Crystal Structure of A T.Thermophilus HB8 AP6A Hydrolase E50Q Mutant- MG2+-Atp Complex (pdb code 1vc9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of A T.Thermophilus HB8 AP6A Hydrolase E50Q Mutant- MG2+-Atp Complex, PDB code: 1vc9:

Magnesium binding site 1 out of 1 in the Crystal Structure of A T.Thermophilus HB8 AP6A Hydrolase E50Q Mutant- MG2+-Atp Complex


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 A T.Thermophilus HB8 AP6A Hydrolase E50Q Mutant- MG2+-Atp Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2001 b:57.0 occ:1.00 O A:HOH2010 2.1 28.4 1.0 OE2 A:GLU46 2.3 27.4 1.0 O A:HOH2060 2.5 36.6 1.0 CD A:GLU46 3.1 27.8 1.0 OE1 A:GLU46 3.4 26.1 1.0 O A:HOH2039 3.5 47.2 1.0 N A:HIS32 3.6 22.2 1.0 O A:HIS32 3.7 21.8 1.0 NH1 A:ARG45 4.1 19.3 1.0 O A:HOH2046 4.1 38.5 1.0 CA A:GLY31 4.3 21.3 1.0 C A:GLY31 4.3 23.9 1.0 CA A:HIS32 4.4 23.7 1.0 CB A:HIS32 4.4 25.1 1.0 CG A:GLU46 4.4 26.6 1.0 C A:HIS32 4.4 23.0 1.0 NH2 A:ARG45 4.5 17.2 1.0 OE1 A:GLU49 4.8 38.4 1.0 CZ A:ARG45 4.8 23.0 1.0 ND1 A:HIS32 5.0 27.9 1.0

T.Iwai, N.Nakagawa, S.Kuramitsu, R.Masui. Crystal Structure of Nudix Protein NDX1 From Thermus Thermophilus HB8 in Binary Complex with Diadenosine Hexaphosphate To Be Published.