Magnesium in PDB 3hhj: Crystal Structure of Mutator Mutt From Bartonella Henselae

The structure of Crystal Structure of Mutator Mutt From Bartonella Henselae, PDB code: 3hhj was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.500, 93.490, 43.880, 90.00, 109.24, 90.00
R / Rfree (%)	20.2 / 23.4

The binding sites of Magnesium atom in the Crystal Structure of Mutator Mutt From Bartonella Henselae (pdb code 3hhj). 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 Mutator Mutt From Bartonella Henselae, PDB code: 3hhj:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Mutator Mutt From Bartonella Henselae


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 Mutator Mutt From Bartonella Henselae within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:24.2 occ:1.00 O A:HOH195 2.0 30.2 1.0 O A:HOH196 2.1 24.6 1.0 O A:HOH194 2.1 23.8 1.0 OE1 A:GLU78 2.1 27.8 1.0 OE2 A:GLU82 2.1 26.8 1.0 O A:HOH197 2.2 25.2 1.0 CD A:GLU78 3.1 28.4 1.0 CD A:GLU82 3.2 26.7 1.0 OE2 A:GLU78 3.4 29.4 1.0 CG A:GLU82 3.6 25.0 1.0 OE2 A:GLU125 4.1 24.1 1.0 O A:GLY62 4.1 23.6 1.0 OE1 A:GLU125 4.2 24.6 1.0 OE1 A:GLU82 4.3 24.7 1.0 NH2 A:ARG48 4.3 40.5 1.0 OE1 A:GLU81 4.4 29.4 1.0 CG A:GLU78 4.5 25.4 1.0 O A:HOH177 4.6 31.1 1.0 CD A:GLU125 4.6 26.6 1.0 CB A:GLU78 4.9 23.5 1.0 O A:HOH192 4.9 31.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Mutator Mutt From Bartonella Henselae


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 Mutator Mutt From Bartonella Henselae within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:25.3 occ:1.00 O B:HOH212 1.9 18.7 1.0 OE2 B:GLU82 2.0 26.8 1.0 OE1 B:GLU78 2.0 21.3 1.0 O B:HOH213 2.0 27.4 1.0 O B:HOH214 2.1 25.4 1.0 O B:HOH211 2.1 29.4 1.0 CD B:GLU78 3.0 22.9 1.0 CD B:GLU82 3.1 28.7 1.0 OE2 B:GLU78 3.4 25.4 1.0 CG B:GLU82 3.6 24.4 1.0 O B:GLY62 3.9 19.9 1.0 OE1 B:GLU125 4.1 29.3 1.0 OE1 B:GLU82 4.2 33.7 1.0 OE2 B:GLU125 4.3 29.8 1.0 CG B:GLU78 4.4 20.5 1.0 O B:HOH240 4.5 42.5 1.0 OE1 B:GLU81 4.5 28.9 1.0 CD B:GLU125 4.6 29.7 1.0 CB B:GLU78 4.7 17.9 1.0 CA B:GLY63 4.8 21.3 1.0 C B:GLY62 4.8 20.6 1.0

G.W.Buchko, T.E.Edwards, J.Abendroth, T.L.Arakaki, L.Law, A.J.Napuli, S.N.Hewitt, W.C.Van Voorhis, L.J.Stewart, B.L.Staker, P.J.Myler. Structure of A Nudix Hydrolase (Mutt) in the Mg(2+)-Bound State From Bartonella Henselae, the Bacterium Responsible For Cat Scratch Fever. Acta Crystallogr.,Sect.F V. 67 1078 2011.
ISSN: ESSN 1744-3091
PubMed: 21904053
DOI: 10.1107/S1744309111011559