Magnesium in PDB 1r6b: High Resolution Crystal Structure of Clpa

The structure of High Resolution Crystal Structure of Clpa, PDB code: 1r6b was solved by D.Xia, M.R.Maurizi, F.Guo, S.K.Singh, L.Esser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.25
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	124.110, 124.110, 97.049, 90.00, 90.00, 120.00
R / Rfree (%)	23.4 / 27.8

The binding sites of Magnesium atom in the High Resolution Crystal Structure of Clpa (pdb code 1r6b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the High Resolution Crystal Structure of Clpa, PDB code: 1r6b:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the High Resolution Crystal Structure of Clpa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of High Resolution Crystal Structure of Clpa within 5.0Å range: probe atom residue distance (Å) B Occ X:Mg782 b:95.4 occ:1.00 O1B X:ADP780 2.4 65.2 1.0 OG1 X:THR221 2.4 50.8 1.0 CB X:THR221 3.3 50.5 1.0 O3B X:ADP780 3.3 65.9 1.0 O2A X:ADP780 3.3 74.0 1.0 PB X:ADP780 3.3 65.3 1.0 OD2 X:ASP285 3.5 69.2 1.0 OE2 X:GLU286 3.9 84.3 1.0 PA X:ADP780 4.0 67.2 1.0 O3A X:ADP780 4.1 67.4 1.0 N X:THR221 4.2 46.9 1.0 OD1 X:ASP285 4.3 65.9 1.0 O1A X:ADP780 4.3 67.2 1.0 CG2 X:THR221 4.3 42.1 1.0 CG X:ASP285 4.3 62.9 1.0 CA X:THR221 4.3 48.8 1.0 O2B X:ADP780 4.6 65.6 1.0 CD X:GLU286 4.9 77.8 1.0

Magnesium binding site 2 out of 3 in the High Resolution Crystal Structure of Clpa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of High Resolution Crystal Structure of Clpa within 5.0Å range: probe atom residue distance (Å) B Occ X:Mg783 b:78.7 occ:1.00 O1B X:ADP781 2.8 61.6 1.0 OG1 X:THR604 3.4 47.3 1.0 O3B X:ADP781 3.5 69.5 1.0 CB X:THR604 3.5 42.6 1.0 OG1 X:THR502 3.6 53.3 1.0 PB X:ADP781 3.6 64.6 1.0 CE X:LYS501 3.7 61.1 1.0 NZ X:LYS501 4.0 68.9 1.0 CB X:LYS501 4.1 43.1 1.0 O2B X:ADP781 4.2 69.3 1.0 CG2 X:THR604 4.2 40.3 1.0 CD X:LYS501 4.5 54.1 1.0 N X:THR502 4.6 44.2 1.0 O X:HOH1073 4.6 75.7 1.0 CA X:THR604 4.8 44.9 1.0 C X:THR604 4.9 47.2 1.0 CB X:THR502 4.9 45.8 1.0 CG X:LYS501 4.9 51.0 1.0

Magnesium binding site 3 out of 3 in the High Resolution Crystal Structure of Clpa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of High Resolution Crystal Structure of Clpa within 5.0Å range: probe atom residue distance (Å) B Occ X:Mg784 b:82.6 occ:1.00 OE1 X:GLU565 2.1 57.7 1.0 OD2 X:ASP520 2.4 61.0 1.0 OD1 X:ASP520 2.5 60.0 1.0 OG X:SER522 2.5 53.5 1.0 CG X:ASP520 2.9 56.8 1.0 CD X:GLU565 3.2 60.6 1.0 CB X:SER522 3.4 48.0 1.0 CG X:GLU565 3.8 51.2 1.0 OE2 X:GLU565 4.3 67.6 1.0 CB X:ASP520 4.4 52.6 1.0 N X:SER522 4.4 46.1 1.0 CA X:SER522 4.5 47.5 1.0 CB X:GLU565 4.5 45.5 1.0 CB X:ASP564 5.0 43.5 1.0

D.Xia, L.Esser, S.K.Singh, F.Guo, M.R.Maurizi. Crystallographic Investigation of Peptide Binding Sites in the N-Domain of the Clpa Chaperone. J.Struct.Biol. V. 146 166 2004.
ISSN: ISSN 1047-8477
PubMed: 15037248
DOI: 10.1016/J.JSB.2003.11.025