Manganese in PDB 3rvr: Structure of the CHEYN59D/E89R Molybdate Complex

The structure of Structure of the CHEYN59D/E89R Molybdate Complex, PDB code: 3rvr 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)	19.73 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.510, 53.630, 161.840, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 18.8

The structure of Structure of the CHEYN59D/E89R Molybdate Complex also contains other interesting chemical elements:

Molybdenum

(Mo)

2 atoms

The binding sites of Manganese atom in the Structure of the CHEYN59D/E89R Molybdate Complex (pdb code 3rvr). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of the CHEYN59D/E89R Molybdate Complex, PDB code: 3rvr:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of the CHEYN59D/E89R Molybdate Complex


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 CHEYN59D/E89R Molybdate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn130 b:24.6 occ:1.00 O1 A:MOO131 2.1 23.7 0.8 OD2 A:ASP57 2.2 21.8 1.0 O A:ASP59 2.3 21.7 1.0 OD1 A:ASP13 2.3 26.1 1.0 O A:HOH145 2.4 23.2 1.0 O A:HOH152 2.4 23.4 1.0 CG A:ASP57 3.1 22.1 1.0 CG A:ASP13 3.2 25.1 1.0 OD1 A:ASP57 3.4 24.4 1.0 C A:ASP59 3.4 26.1 1.0 OD2 A:ASP13 3.4 25.1 1.0 MO A:MOO131 3.7 33.4 0.8 OD1 A:ASP12 4.0 21.7 1.0 CB A:ASP59 4.1 27.3 0.5 CA A:ASP59 4.1 25.2 0.5 CA A:ASP59 4.1 25.2 0.5 CB A:ASP59 4.1 27.3 0.5 CG A:MET60 4.3 19.5 1.0 N A:ASP59 4.3 20.9 1.0 O A:HOH278 4.3 38.7 1.0 O4 A:SO4132 4.4 30.7 0.4 CD2 A:PHE14 4.4 31.0 1.0 CB A:ASP57 4.5 19.1 1.0 N A:MET60 4.5 23.6 1.0 O2 A:MOO131 4.5 31.4 0.8 N A:ASP13 4.6 21.4 1.0 CB A:ASP13 4.6 21.5 1.0 O3 A:SO4132 4.7 28.9 0.4 CG A:ASP12 4.7 23.9 1.0 O4 A:MOO131 4.7 25.2 0.8 CA A:MET60 4.7 21.6 1.0 OD2 A:ASP12 4.8 22.3 1.0 CE2 A:PHE14 4.8 32.0 1.0 NZ A:LYS109 4.8 28.2 1.0 O3 A:MOO131 4.9 23.1 0.8 O2 A:SO4132 4.9 29.8 0.4 S A:SO4132 4.9 33.8 0.4 CG A:ASP59 4.9 29.2 0.5

Manganese binding site 2 out of 2 in the Structure of the CHEYN59D/E89R Molybdate Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of the CHEYN59D/E89R Molybdate Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn130 b:24.6 occ:1.00 O3 B:MOO131 2.1 26.5 0.8 OD2 B:ASP57 2.1 21.8 1.0 O B:HOH160 2.2 25.7 1.0 OD1 B:ASP13 2.2 25.4 1.0 O B:ASP59 2.3 23.0 1.0 O B:HOH150 2.5 21.6 1.0 CG B:ASP57 3.1 22.8 1.0 CG B:ASP13 3.2 26.0 1.0 OD2 B:ASP13 3.4 27.1 1.0 C B:ASP59 3.4 27.0 1.0 OD1 B:ASP57 3.5 24.3 1.0 MO B:MOO131 3.7 30.8 0.8 OD1 B:ASP12 4.0 21.0 1.0 CB B:ASP59 4.1 28.2 0.5 CB B:ASP59 4.1 28.2 0.5 CA B:ASP59 4.2 27.5 0.5 CA B:ASP59 4.2 27.5 0.5 CG B:MET60 4.3 19.6 1.0 N B:ASP59 4.3 24.7 1.0 O B:HOH182 4.4 43.3 1.0 CD2 B:PHE14 4.4 33.2 1.0 CB B:ASP57 4.4 20.7 1.0 N B:MET60 4.5 24.5 1.0 N B:ASP13 4.5 19.0 1.0 CB B:ASP13 4.5 24.0 1.0 O1 B:MOO131 4.6 33.5 0.8 CG B:ASP12 4.6 21.8 1.0 O4 B:MOO131 4.7 26.0 0.8 CA B:MET60 4.7 21.8 1.0 O1 B:SO4132 4.7 28.8 0.3 O2 B:MOO131 4.7 22.2 0.8 OD2 B:ASP12 4.8 18.6 1.0 NZ B:LYS109 4.8 28.5 1.0 CE2 B:PHE14 4.8 34.0 1.0 CG B:ASP59 4.9 30.6 0.5 O B:HOH263 4.9 44.7 1.0 O3 B:SO4132 5.0 30.1 0.3 O4 B:SO4132 5.0 33.4 0.3

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