Magnesium in PDB 2cci: Crystal Structure of Phospho-CDK2 Cyclin A in Complex with A Peptide Containing Both the Substrate and Recruitment Sites of CDC6

All present enzymatic activity of Crystal Structure of Phospho-CDK2 Cyclin A in Complex with A Peptide Containing Both the Substrate and Recruitment Sites of CDC6:
2.7.11.22;

The structure of Crystal Structure of Phospho-CDK2 Cyclin A in Complex with A Peptide Containing Both the Substrate and Recruitment Sites of CDC6, PDB code: 2cci was solved by K.Y.Cheng, M.E.M.Noble, V.Skamnaki, N.R.Brown, E.D.Lowe, L.Kontogiannis, K.Shen, P.A.Cole, G.Siligardi, L.N.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.92 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.420, 114.389, 170.709, 90.00, 90.00, 90.00
R / Rfree (%)	26.1 / 32.1

The binding sites of Magnesium atom in the Crystal Structure of Phospho-CDK2 Cyclin A in Complex with A Peptide Containing Both the Substrate and Recruitment Sites of CDC6 (pdb code 2cci). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Phospho-CDK2 Cyclin A in Complex with A Peptide Containing Both the Substrate and Recruitment Sites of CDC6, PDB code: 2cci:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Phospho-CDK2 Cyclin A in Complex with A Peptide Containing Both the Substrate and Recruitment Sites of CDC6


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 Phospho-CDK2 Cyclin A in Complex with A Peptide Containing Both the Substrate and Recruitment Sites of CDC6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1298 b:38.5 occ:1.00 OD1 A:ASP145 1.9 37.6 1.0 OD1 A:ASN132 2.3 29.4 1.0 O3B A:ATP1297 2.6 55.7 1.0 O1A A:ATP1297 3.0 46.1 1.0 CG A:ASP145 3.1 37.0 1.0 CG A:ASN132 3.2 31.6 1.0 O2G A:ATP1297 3.2 58.2 1.0 ND2 A:ASN132 3.3 31.3 1.0 PG A:ATP1297 3.6 58.7 1.0 O2B A:ATP1297 3.8 52.9 1.0 PB A:ATP1297 3.8 52.7 1.0 CB A:ASP145 3.8 36.0 1.0 OD2 A:ASP127 4.0 34.6 1.0 OD2 A:ASP145 4.1 38.5 1.0 CE A:LYS129 4.1 32.0 1.0 OG F:SER70 4.2 51.0 1.0 PA A:ATP1297 4.3 46.4 1.0 O1G A:ATP1297 4.3 58.2 1.0 O3A A:ATP1297 4.5 49.5 1.0 CB A:ASN132 4.6 32.7 1.0 NZ A:LYS129 4.7 31.0 1.0 O3G A:ATP1297 4.7 58.6 1.0 O1B A:ATP1297 5.0 53.5 1.0 NH2 F:ARG72 5.0 60.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Phospho-CDK2 Cyclin A in Complex with A Peptide Containing Both the Substrate and Recruitment Sites of CDC6


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 Phospho-CDK2 Cyclin A in Complex with A Peptide Containing Both the Substrate and Recruitment Sites of CDC6 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1298 b:43.8 occ:1.00 O1G C:ATP1297 1.9 54.8 1.0 OD1 C:ASP145 2.5 34.9 1.0 OD1 C:ASN132 2.5 35.4 1.0 ND2 C:ASN132 2.8 36.0 1.0 PG C:ATP1297 2.9 55.7 1.0 CG C:ASN132 3.0 36.1 1.0 O3G C:ATP1297 3.1 56.5 1.0 O2B C:ATP1297 3.1 49.0 1.0 O1A C:ATP1297 3.6 44.1 1.0 CE C:LYS129 3.6 34.6 1.0 CG C:ASP145 3.7 33.7 1.0 OG I:SER70 3.8 52.2 1.0 O C:HOH2022 3.9 36.3 1.0 O3B C:ATP1297 4.0 52.4 1.0 O2G C:ATP1297 4.1 55.1 1.0 NZ C:LYS129 4.1 33.5 1.0 PB C:ATP1297 4.2 48.9 1.0 OD2 C:ASP127 4.2 34.8 1.0 CB C:ASP145 4.4 33.5 1.0 O C:HOH2013 4.4 36.1 1.0 CB C:ASN132 4.5 36.1 1.0 CB I:SER70 4.6 53.4 1.0 OD2 C:ASP145 4.6 34.8 1.0 PA C:ATP1297 4.8 44.1 1.0 CG C:GLN131 4.9 37.1 1.0 CD C:LYS129 5.0 34.5 1.0 O3A C:ATP1297 5.0 46.7 1.0

K.Y.Cheng, M.E.Noble, V.Skamnaki, N.R.Brown, E.D.Lowe, L.Kontogiannis, K.Shen, P.A.Cole, G.Siligardi, L.N.Johnson. The Role of the Phospho-CDK2/Cyclin A Recruitment Site in Substrate Recognition. J. Biol. Chem. V. 281 23167 2006.
ISSN: ISSN 0021-9258
PubMed: 16707497
DOI: 10.1074/JBC.M600480200