Manganese in PDB 3rvk: Structure of the Chey-MN2+ Complex with Substitutions at 59 and 89: N59D E89Q

The structure of Structure of the Chey-MN2+ Complex with Substitutions at 59 and 89: N59D E89Q, PDB code: 3rvk was solved by R.M.Immormino, C.A.Starbird, R.E.Silversmith, R.B.Bourret, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.82 / 1.16
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.117, 46.786, 53.926, 90.00, 90.00, 90.00
R / Rfree (%)	13.1 / 15.9

The binding sites of Manganese atom in the Structure of the Chey-MN2+ Complex with Substitutions at 59 and 89: N59D E89Q (pdb code 3rvk). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Structure of the Chey-MN2+ Complex with Substitutions at 59 and 89: N59D E89Q, PDB code: 3rvk:

Manganese binding site 1 out of 1 in the Structure of the Chey-MN2+ Complex with Substitutions at 59 and 89: N59D E89Q


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of the Chey-MN2+ Complex with Substitutions at 59 and 89: N59D E89Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn130 b:7.4 occ:0.54 OD2 A:ASP57 2.2 12.4 0.5 OD2 A:ASP57 2.3 18.0 0.5 O A:ASP59 2.3 8.8 1.0 O A:HOH136 2.4 11.6 0.9 O A:HOH137 2.4 23.4 0.9 OD1 A:ASP13 2.4 10.5 1.0 O A:HOH138 2.4 13.9 0.9 O A:HOH249 2.8 29.7 0.5 CG A:ASP57 3.2 11.6 0.5 CG A:ASP13 3.4 10.3 1.0 CG A:ASP57 3.5 15.0 0.5 C A:ASP59 3.5 7.8 1.0 OD1 A:ASP57 3.5 12.4 0.5 HB3 A:ASP59 3.7 11.9 1.0 HG2 A:MET60 3.7 9.7 1.0 OD2 A:ASP13 3.8 11.4 1.0 HA A:MET60 3.8 8.9 1.0 H A:ASP13 3.8 10.8 1.0 OD1 A:ASP12 4.0 10.6 1.0 HZ1 A:LYS109 4.1 26.7 0.4 O A:HOH347 4.1 21.4 0.6 H A:ASP59 4.2 9.1 1.0 OD1 A:ASP57 4.2 16.1 0.5 O A:HOH248 4.3 29.7 0.8 HB3 A:ASP57 4.3 12.8 0.5 HG3 A:MET60 4.3 9.7 1.0 CB A:ASP59 4.4 9.9 1.0 CA A:ASP59 4.4 8.0 1.0 N A:MET60 4.5 7.5 1.0 CG A:MET60 4.5 8.1 1.0 CB A:ASP57 4.5 10.7 0.5 CB A:ASP57 4.5 8.9 0.5 CA A:MET60 4.5 7.4 1.0 O A:HOH159 4.6 10.9 1.0 HB3 A:ASP57 4.6 10.7 0.5 N A:ASP13 4.6 9.0 1.0 CE1 A:PHE14 4.6 16.9 1.0 CG A:ASP12 4.7 11.5 1.0 N A:ASP59 4.7 7.5 1.0 HB2 A:ASP57 4.7 10.7 0.5 CB A:ASP13 4.7 10.8 1.0 H A:PHE14 4.7 11.0 1.0 HE1 A:PHE14 4.8 20.3 1.0 O A:HOH145 4.8 37.8 0.7 HB2 A:ASP57 4.8 12.8 0.5 CD1 A:PHE14 4.8 14.9 1.0 CG A:ASP59 4.8 12.5 1.0 CZ A:PHE14 4.8 19.1 1.0 OD2 A:ASP12 4.9 11.8 1.0 NZ A:LYS109 4.9 22.3 0.4 HA A:ASP12 4.9 11.1 1.0 HB3 A:ASP13 5.0 13.0 1.0 HZ3 A:LYS109 5.0 26.7 0.4

R.M.Immormino, C.A.Starbird, R.E.Silversmith, R.B.Bourret. Probing Mechanistic Similarities Between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases. Biochemistry V. 54 3514 2015.
ISSN: ISSN 0006-2960
PubMed: 25928369
DOI: 10.1021/ACS.BIOCHEM.5B00286