Mercury in PDB 1yio: Crystallographic Structure of Response Regulator Styr From Pseudomonas Fluorescens

The structure of Crystallographic Structure of Response Regulator Styr From Pseudomonas Fluorescens, PDB code: 1yio was solved by M.Milani, L.Leoni, G.Rampioni, E.Zennaro, P.Ascenzi, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.196, 35.679, 73.877, 90.00, 99.15, 90.00
R / Rfree (%)	20.1 / 27.5

The structure of Crystallographic Structure of Response Regulator Styr From Pseudomonas Fluorescens also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Mercury atom in the Crystallographic Structure of Response Regulator Styr From Pseudomonas Fluorescens (pdb code 1yio). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Crystallographic Structure of Response Regulator Styr From Pseudomonas Fluorescens, PDB code: 1yio:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Crystallographic Structure of Response Regulator Styr From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystallographic Structure of Response Regulator Styr From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg209 b:50.3 occ:0.60 HG A:HG209 0.0 50.3 0.6 SG A:CYS36 1.5 16.3 0.5 CB A:CYS36 2.6 12.1 0.5 OD2 A:ASP35 2.7 32.4 1.0 CB A:CYS36 3.0 16.9 0.5 SG A:CYS36 3.3 10.0 0.5 HG A:HG209 3.4 50.3 0.4 OG1 A:THR39 3.5 31.6 1.0 CG A:ASP35 3.8 32.5 1.0 CA A:CYS36 3.8 17.8 0.5 N A:CYS36 3.8 16.6 0.5 N A:CYS36 3.9 19.5 0.5 O A:HOH264 3.9 46.5 1.0 CA A:CYS36 4.0 17.7 0.5 OD1 A:ASP35 4.2 32.5 1.0 O A:HOH263 4.3 26.7 1.0 CB A:THR39 4.3 28.0 1.0 C A:ASP35 4.3 21.7 1.0 O A:CYS36 4.7 14.3 0.5 C A:CYS36 4.7 18.4 0.5 O A:HOH272 4.8 35.5 1.0 O A:ASP35 4.8 20.4 1.0 C A:CYS36 4.8 17.5 0.5 N A:ASP35 4.9 14.5 1.0 CA A:ASP35 4.9 18.6 1.0 CB A:ASP35 5.0 25.7 1.0

Mercury binding site 2 out of 4 in the Crystallographic Structure of Response Regulator Styr From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystallographic Structure of Response Regulator Styr From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg209 b:50.3 occ:0.40 HG A:HG209 0.0 50.3 0.4 SG A:CYS36 0.6 10.0 0.5 N A:THR39 2.0 24.4 1.0 SG A:CYS36 2.2 16.3 0.5 CB A:CYS36 2.2 12.1 0.5 O A:CYS36 2.5 14.3 0.5 OG1 A:THR39 2.8 31.6 1.0 CB A:THR39 2.8 28.0 1.0 C A:CYS36 2.9 18.4 0.5 CA A:THR39 2.9 28.4 1.0 C A:CYS36 3.0 17.5 0.5 N A:SER38 3.0 20.1 1.0 C A:SER38 3.0 25.7 1.0 O A:CYS36 3.0 17.2 0.5 CB A:CYS36 3.1 16.9 0.5 OG A:SER38 3.1 29.5 1.0 CA A:CYS36 3.2 17.8 0.5 CA A:SER38 3.3 22.9 1.0 HG A:HG209 3.4 50.3 0.6 CA A:CYS36 3.4 17.7 0.5 C A:ALA37 3.5 18.2 1.0 N A:ALA37 3.6 16.2 1.0 CB A:SER38 3.8 25.8 1.0 N A:CYS36 3.9 16.6 0.5 N A:CYS36 4.0 19.5 0.5 C A:THR39 4.0 27.1 1.0 N A:PHE40 4.0 23.3 1.0 O A:ALA37 4.1 18.8 1.0 O A:SER38 4.1 22.7 1.0 CA A:ALA37 4.1 16.9 1.0 CG2 A:THR39 4.3 30.6 1.0

Mercury binding site 3 out of 4 in the Crystallographic Structure of Response Regulator Styr From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystallographic Structure of Response Regulator Styr From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg210 b:50.2 occ:0.70 NE2 A:HIS43 2.1 42.7 1.0 O A:HOH282 2.4 27.4 1.0 CE1 A:HIS43 2.9 44.0 1.0 CD2 A:HIS43 3.2 40.7 1.0 ND1 A:HIS43 4.1 44.8 1.0 O A:HOH267 4.2 53.1 1.0 CG A:HIS43 4.2 40.6 1.0 CG2 A:THR39 4.8 30.6 1.0

Mercury binding site 4 out of 4 in the Crystallographic Structure of Response Regulator Styr From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Crystallographic Structure of Response Regulator Styr From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg211 b:50.0 occ:0.40 CD2 A:LEU120 2.1 28.1 1.0 CG A:LEU120 2.1 32.9 1.0 CB A:CYS51 2.5 23.4 1.0 CD1 A:LEU120 2.9 32.1 1.0 N A:CYS51 3.2 23.4 1.0 CA A:CYS51 3.4 24.6 1.0 CB A:LEU120 3.4 30.0 1.0 C A:GLY50 3.6 28.5 1.0 O A:ILE116 3.7 29.7 1.0 CG2 A:VAL7 3.7 16.8 1.0 CA A:LEU120 3.8 30.2 1.0 SG A:CYS51 3.8 35.1 1.0 N A:LEU120 3.8 24.1 1.0 CG2 A:ILE116 3.9 29.2 1.0 O A:THR6 4.0 26.4 1.0 CA A:GLY50 4.1 26.7 1.0 O A:GLY50 4.2 24.6 1.0 C A:CYS51 4.5 21.5 1.0 C A:GLY119 4.6 25.1 1.0 O A:CYS51 4.6 21.7 1.0 C A:ILE116 4.7 24.8 1.0 C A:THR6 4.7 28.4 1.0 CB A:VAL7 4.8 19.6 1.0 CA A:VAL7 4.8 16.7 1.0 CB A:ILE116 5.0 26.1 1.0 N A:VAL7 5.0 23.4 1.0

M.Milani, L.Leoni, G.Rampioni, E.Zennaro, P.Ascenzi, M.Bolognesi. An Active-Like Structure in the Unphosphorylated Styr Response Regulator Suggests A Phosphorylation- Dependent Allosteric Activation Mechanism Structure V. 13 1289 2005.
ISSN: ISSN 0969-2126
PubMed: 16154086
DOI: 10.1016/J.STR.2005.05.014