Magnesium in PDB 3sy8: Crystal Structure of the Response Regulator Rocr

The structure of Crystal Structure of the Response Regulator Rocr, PDB code: 3sy8 was solved by M.W.Chen, M.Kotaka, C.Vonrhein, G.Bricogne, J.Lescar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 2.50
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	118.795, 118.795, 495.100, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 28.5

The binding sites of Magnesium atom in the Crystal Structure of the Response Regulator Rocr (pdb code 3sy8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of the Response Regulator Rocr, PDB code: 3sy8:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of the Response Regulator Rocr


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 the Response Regulator Rocr within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:49.4 occ:1.00 OE2 A:GLU175 2.3 56.5 1.0 OD2 A:ASP295 2.3 63.5 1.0 OD1 A:ASN233 2.3 57.0 1.0 OE1 A:GLU265 2.4 57.1 1.0 CG A:ASP295 3.0 56.5 1.0 O A:HOH410 3.0 34.1 1.0 CD A:GLU175 3.1 57.2 1.0 CG A:ASN233 3.2 54.9 1.0 OD1 A:ASP295 3.3 63.7 1.0 ND2 A:ASN233 3.5 52.9 1.0 OE1 A:GLU175 3.6 57.3 1.0 CD A:GLU265 3.7 54.6 1.0 NZ A:LYS316 4.0 57.4 1.0 CG A:GLU175 4.1 56.4 1.0 CB A:GLU265 4.2 51.2 1.0 CB A:ASP295 4.3 52.9 1.0 OE2 A:GLU265 4.5 57.7 1.0 CG A:GLU265 4.5 53.0 1.0 CB A:ASN233 4.6 53.4 1.0 OE2 A:GLU352 4.6 67.4 1.0 CD A:LYS316 4.9 55.7 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of the Response Regulator Rocr


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 the Response Regulator Rocr within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:49.8 occ:1.00 OE1 B:GLU265 2.0 43.2 1.0 OE2 B:GLU175 2.3 40.4 1.0 OD1 B:ASN233 2.3 38.8 1.0 OD2 B:ASP295 2.9 50.5 1.0 OD1 B:ASP295 3.1 51.3 1.0 CG B:ASP295 3.1 44.7 1.0 CD B:GLU175 3.2 42.6 1.0 CD B:GLU265 3.2 40.0 1.0 O B:HOH405 3.3 28.1 1.0 CG B:ASN233 3.4 38.1 1.0 OE1 B:GLU175 3.7 43.6 1.0 ND2 B:ASN233 3.8 36.9 1.0 CB B:GLU265 3.9 39.8 1.0 OE2 B:GLU265 4.1 42.8 1.0 CG B:GLU265 4.1 39.2 1.0 CG B:GLU175 4.2 43.7 1.0 CB B:ASP295 4.2 42.6 1.0 NZ B:LYS316 4.3 39.4 1.0 OE2 B:GLU352 4.6 55.9 1.0 CD B:LYS316 4.7 40.0 1.0 CB B:ASN233 4.7 40.1 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of the Response Regulator Rocr


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Response Regulator Rocr within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg401 b:90.7 occ:1.00 OE2 C:GLU175 2.3 75.2 1.0 OD2 C:ASP295 2.3 69.3 1.0 OD1 C:ASN233 2.5 61.1 1.0 OE1 C:GLU265 2.6 66.0 1.0 O C:HOH417 2.7 65.8 1.0 CG C:ASP295 3.2 67.9 1.0 CD C:GLU175 3.2 74.8 1.0 CG C:ASN233 3.5 58.7 1.0 O C:HOH412 3.6 28.3 1.0 OD1 C:ASP295 3.7 69.4 1.0 OE1 C:GLU175 3.8 75.0 1.0 ND2 C:ASN233 3.8 57.9 1.0 CD C:GLU265 3.8 65.4 1.0 NZ C:LYS316 4.3 55.1 1.0 CG C:GLU175 4.3 73.0 1.0 CB C:ASP295 4.3 65.1 1.0 OE2 C:GLU352 4.4 66.6 1.0 CB C:GLU265 4.4 60.4 1.0 O C:HOH483 4.6 47.5 1.0 OE2 C:GLU265 4.7 65.7 1.0 CG C:GLU265 4.8 62.8 1.0 CB C:ASN233 4.8 59.1 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of the Response Regulator Rocr


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the Response Regulator Rocr within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg401 b:50.4 occ:1.00 OE1 D:GLU265 2.3 43.2 1.0 OE2 D:GLU175 2.4 47.8 1.0 OD1 D:ASN233 2.5 41.9 1.0 OD2 D:ASP295 2.5 53.3 1.0 O8 D:EPE3380 2.8 58.9 1.0 CD D:GLU175 3.2 46.8 1.0 CG D:ASP295 3.3 48.1 1.0 CG D:ASN233 3.4 44.8 1.0 ND2 D:ASN233 3.5 46.1 1.0 C8 D:EPE3380 3.5 56.5 1.0 OE1 D:GLU175 3.6 45.7 1.0 CD D:GLU265 3.6 44.1 1.0 OD1 D:ASP295 3.7 53.4 1.0 O D:HOH405 3.7 47.1 1.0 NZ D:LYS316 3.9 38.7 1.0 O D:HOH406 4.1 38.3 1.0 CB D:GLU265 4.2 40.2 1.0 CG D:GLU175 4.2 48.4 1.0 OE2 D:GLU265 4.4 42.4 1.0 CB D:ASP295 4.4 43.7 1.0 CG D:GLU265 4.5 40.8 1.0 C5 D:EPE3380 4.6 60.9 1.0 OE2 D:GLU352 4.6 56.9 1.0 CD D:LYS316 4.7 36.6 1.0 C7 D:EPE3380 4.8 59.3 1.0 CE D:LYS316 4.8 38.9 1.0 CB D:ASN233 4.8 43.6 1.0 N4 D:EPE3380 4.9 60.6 1.0

M.W.Chen, M.Kotaka, C.Vonrhein, G.Bricogne, F.Rao, M.L.C.Chuah, D.Svergun, G.Schneider, Z.X.Liang, J.Lescar. Structural Insights Into the Regulatory Mechanism of the Response Regulator Rocr From Pseudomonas Aeruginosa in Cyclic Di-Gmp Signaling. J.Bacteriol. V. 194 4837 2012.
ISSN: ISSN 0021-9193
PubMed: 22753070
DOI: 10.1128/JB.00560-12