Manganese in PDB 1mav: Crystal Structure of the Response Regulator Divk at pH 6.0 in Complex with MN2+

The structure of Crystal Structure of the Response Regulator Divk at pH 6.0 in Complex with MN2+, PDB code: 1mav was solved by V.Guillet, N.Ohta, S.Cabantous, A.Newton, J.-P.Samama, Structuralproteomics In Europe (Spine), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.840, 41.020, 67.010, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 22.3

The binding sites of Manganese atom in the Crystal Structure of the Response Regulator Divk at pH 6.0 in Complex with MN2+ (pdb code 1mav). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of the Response Regulator Divk at pH 6.0 in Complex with MN2+, PDB code: 1mav:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Crystal Structure of the Response Regulator Divk at pH 6.0 in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Response Regulator Divk at pH 6.0 in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:27.1 occ:0.70 OE2 A:GLU9 2.3 15.9 1.0 OD1 A:ASP10 2.5 20.6 0.7 OD2 A:ASP53 2.6 22.1 0.6 O A:HOH260 2.6 41.8 1.0 OD2 A:ASP53 2.8 17.2 0.4 CG A:ASP53 3.3 17.1 0.4 CD A:GLU9 3.3 14.6 1.0 CG A:ASP53 3.3 19.7 0.6 CG A:ASP10 3.4 18.6 0.7 OD1 A:ASP53 3.5 15.4 0.4 OE1 A:GLU9 3.7 17.9 1.0 O A:HOH278 3.7 36.6 1.0 OD2 A:ASP10 3.8 20.6 0.7 OD1 A:ASP53 3.8 20.3 0.6 N A:ASN11 4.0 13.3 1.0 CB A:ASN11 4.0 14.4 1.0 N A:ASP10 4.1 13.0 1.0 CB A:ASP53 4.3 17.2 1.0 O A:GLN55 4.3 20.1 1.0 ND2 A:ASN14 4.5 24.6 1.0 CB A:ASP10 4.6 17.1 1.0 CG A:GLU9 4.6 13.7 1.0 CA A:ASP10 4.7 14.4 1.0 CA A:ASN11 4.7 13.7 1.0 C A:ASP10 4.8 12.8 1.0 C A:GLN55 4.9 19.0 1.0 C A:GLU9 4.9 11.9 1.0 CA A:GLU9 5.0 11.7 1.0

Manganese binding site 2 out of 3 in the Crystal Structure of the Response Regulator Divk at pH 6.0 in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the Response Regulator Divk at pH 6.0 in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:30.7 occ:0.50 MN A:MN202 0.0 30.7 0.5 MN A:MN202 1.7 36.8 0.5 NE2 A:HIS19 2.6 18.8 1.0 OE2 A:GLU23 2.8 30.9 1.0 O A:HOH240 3.2 30.4 1.0 O A:HOH263 3.3 32.2 1.0 CE1 A:HIS19 3.4 17.1 1.0 O A:HOH262 3.7 39.8 1.0 O A:HOH210 3.7 20.9 1.0 CD2 A:HIS19 3.8 16.5 1.0 CD A:GLU23 3.8 26.9 1.0 OE1 A:GLU23 4.5 29.0 1.0 CG A:GLU23 4.6 24.1 1.0 ND1 A:HIS19 4.6 17.9 1.0 CG A:HIS19 4.8 15.6 1.0 O A:HOH229 4.9 25.6 1.0 CB A:GLU23 4.9 19.6 1.0

Manganese binding site 3 out of 3 in the Crystal Structure of the Response Regulator Divk at pH 6.0 in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of the Response Regulator Divk at pH 6.0 in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:36.8 occ:0.50 MN A:MN202 0.0 36.8 0.5 MN A:MN202 1.7 30.7 0.5 O A:HOH240 2.7 30.4 1.0 NE2 A:HIS19 2.7 18.8 1.0 O A:HOH210 2.8 20.9 1.0 CD2 A:HIS19 3.4 16.5 1.0 CE1 A:HIS19 3.8 17.1 1.0 NE2 A:GLN31 3.9 12.5 1.0 OG1 A:THR29 4.1 15.3 1.0 O A:HOH262 4.3 39.8 1.0 O A:HOH263 4.4 32.2 1.0 OE2 A:GLU23 4.5 30.9 1.0 CG A:HIS19 4.6 15.6 1.0 ND1 A:HIS19 4.8 17.9 1.0 O A:HOH229 5.0 25.6 1.0

V.Guillet, N.Ohta, S.Cabantous, A.Newton, J.-P.Samama. Crystallographic and Biochemical Studies of Divk Reveal Novel Features of An Essential Response Regulator in Caulobacter Crescentus. J.Biol.Chem. V. 277 42003 2002.
ISSN: ISSN 0021-9258
PubMed: 12176983
DOI: 10.1074/JBC.M204789200