Magnesium in PDB 1qmz: Phosphorylated CDK2-Cyclyin A-Substrate Peptide Complex

The structure of Phosphorylated CDK2-Cyclyin A-Substrate Peptide Complex, PDB code: 1qmz was solved by N.R.Brown, M.E.M.Noble, J.A.Endicott, L.N.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.0 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	152.600, 163.700, 73.300, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 28

The binding sites of Magnesium atom in the Phosphorylated CDK2-Cyclyin A-Substrate Peptide Complex (pdb code 1qmz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Phosphorylated CDK2-Cyclyin A-Substrate Peptide Complex, PDB code: 1qmz:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Phosphorylated CDK2-Cyclyin A-Substrate Peptide Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Phosphorylated CDK2-Cyclyin A-Substrate Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg383 b:37.6 occ:1.00 OD2 A:ASP145 1.9 31.2 1.0 OD1 A:ASN132 2.0 26.6 1.0 O2A A:ATP381 2.1 34.9 1.0 O3B A:ATP381 2.1 49.6 1.0 O A:HOH2205 2.1 32.5 1.0 O2G A:ATP381 2.2 55.9 1.0 PG A:ATP381 2.6 63.9 1.0 CG A:ASP145 2.8 30.2 1.0 CG A:ASN132 3.0 26.3 1.0 CB A:ASP145 3.2 27.8 1.0 PA A:ATP381 3.3 33.5 1.0 ND2 A:ASN132 3.3 23.5 1.0 O3G A:ATP381 3.4 61.8 1.0 PB A:ATP381 3.5 43.1 1.0 O3A A:ATP381 3.7 35.5 1.0 OD1 A:ASP145 3.9 29.0 1.0 O1G A:ATP381 4.0 59.9 1.0 O5' A:ATP381 4.2 35.7 1.0 O1A A:ATP381 4.2 31.6 1.0 O2B A:ATP381 4.2 42.2 1.0 CB A:ASN132 4.3 23.4 1.0 O A:HOH2008 4.3 60.4 1.0 O1B A:ATP381 4.5 43.6 1.0 O3' A:ATP381 4.5 31.7 1.0 CA A:ASN132 4.6 23.8 1.0 C5' A:ATP381 4.6 31.2 1.0 CA A:ASP145 4.7 25.8 1.0 O A:HOH2093 4.7 38.9 1.0 OG E:SER5 4.8 40.1 1.0 O A:GLN131 4.8 26.3 1.0 O A:HOH2094 4.8 39.4 1.0 OD2 A:ASP127 4.8 25.6 1.0 CE A:LYS129 4.9 22.5 1.0 C3' A:ATP381 5.0 32.2 1.0 N A:ASN132 5.0 24.4 1.0

Magnesium binding site 2 out of 2 in the Phosphorylated CDK2-Cyclyin A-Substrate Peptide Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Phosphorylated CDK2-Cyclyin A-Substrate Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg383 b:36.2 occ:1.00 O3B C:ATP381 1.9 51.4 1.0 O2A C:ATP381 2.0 29.0 1.0 OD2 C:ASP145 2.1 30.5 1.0 OD1 C:ASN132 2.1 26.0 1.0 O2G C:ATP381 2.2 58.2 1.0 PG C:ATP381 2.4 65.8 1.0 O C:HOH2195 2.4 32.0 1.0 CG C:ASP145 3.0 30.6 1.0 CG C:ASN132 3.1 26.1 1.0 PA C:ATP381 3.3 31.2 1.0 O3G C:ATP381 3.3 61.6 1.0 PB C:ATP381 3.3 44.2 1.0 CB C:ASP145 3.4 28.1 1.0 ND2 C:ASN132 3.5 22.5 1.0 O3A C:ATP381 3.6 36.9 1.0 O1G C:ATP381 3.7 63.4 1.0 O C:HOH2192 3.9 56.6 1.0 O5' C:ATP381 4.1 32.9 1.0 OD1 C:ASP145 4.1 28.6 1.0 O2B C:ATP381 4.2 44.2 1.0 C5' C:ATP381 4.2 31.5 1.0 O1A C:ATP381 4.3 26.1 1.0 O1B C:ATP381 4.3 47.5 1.0 O3' C:ATP381 4.4 29.5 1.0 CB C:ASN132 4.4 23.4 1.0 CA C:ASN132 4.7 23.9 1.0 C3' C:ATP381 4.7 30.8 1.0 O C:HOH2084 4.8 59.1 1.0 OG F:SER5 4.8 40.4 1.0 CA C:ASP145 4.8 25.8 1.0 O C:GLN131 4.8 26.6 1.0 O C:HOH2086 4.8 48.9 1.0 CE C:LYS129 5.0 22.6 1.0 N C:ASN132 5.0 24.0 1.0

N.R.Brown, M.E.Noble, J.A.Endicott, L.N.Johnson. The Structural Basis For Specificity of Substrate and Recruitment Peptides For Cyclin-Dependent Kinases Nat.Cell Biol. V. 1 438 1999.
ISSN: ISSN 1465-7392
PubMed: 10559988
DOI: 10.1038/15674