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Magnesium in PDB 1oiu: Structure of Human THR160-Phospho CDK2/Cyclin A Complexed with A 6-Cyclohexylmethyloxy-2-Anilino-Purine Inhibitor

Enzymatic activity of Structure of Human THR160-Phospho CDK2/Cyclin A Complexed with A 6-Cyclohexylmethyloxy-2-Anilino-Purine Inhibitor

All present enzymatic activity of Structure of Human THR160-Phospho CDK2/Cyclin A Complexed with A 6-Cyclohexylmethyloxy-2-Anilino-Purine Inhibitor:
2.7.1.37;

Protein crystallography data

The structure of Structure of Human THR160-Phospho CDK2/Cyclin A Complexed with A 6-Cyclohexylmethyloxy-2-Anilino-Purine Inhibitor, PDB code: 1oiu was solved by D.J.Pratt, J.A.Endicott, M.E.M.Noble, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 100.000 / 2.0
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.648, 133.778, 148.228, 90.00, 90.00, 90.00
R / Rfree (%) 21.58 / 25.32

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Human THR160-Phospho CDK2/Cyclin A Complexed with A 6-Cyclohexylmethyloxy-2-Anilino-Purine Inhibitor (pdb code 1oiu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure of Human THR160-Phospho CDK2/Cyclin A Complexed with A 6-Cyclohexylmethyloxy-2-Anilino-Purine Inhibitor, PDB code: 1oiu:

Magnesium binding site 1 out of 1 in 1oiu

Go back to Magnesium Binding Sites List in 1oiu
Magnesium binding site 1 out of 1 in the Structure of Human THR160-Phospho CDK2/Cyclin A Complexed with A 6-Cyclohexylmethyloxy-2-Anilino-Purine Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Human THR160-Phospho CDK2/Cyclin A Complexed with A 6-Cyclohexylmethyloxy-2-Anilino-Purine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1433

b:34.3
occ:1.00
 O B:GLN203 2.3 30.9 1.0
O B:ILE206 2.5 25.9 1.0
O B:HOH2051 2.5 50.0 1.0
O B:HOH2050 2.6 39.6 1.0
O B:HOH2052 2.7 41.6 1.0
O B:MET200 2.9 31.2 1.0
C B:GLN203 3.5 31.0 1.0
C B:ILE206 3.6 26.2 1.0
C B:MET200 4.0 31.4 1.0
CB B:GLN203 4.0 30.4 1.0
CA B:GLN203 4.1 30.7 1.0
N B:GLN203 4.3 31.8 1.0
N B:ILE206 4.3 28.6 1.0
O B:PRO204 4.3 31.8 1.0
C B:PRO204 4.4 31.2 1.0
N B:THR207 4.5 25.1 1.0
CA B:THR207 4.5 24.2 1.0
N B:PRO204 4.5 31.0 1.0
CG B:MET200 4.6 30.2 1.0
CA B:ILE206 4.6 27.4 1.0
O B:LYS201 4.6 34.6 1.0
CG2 B:THR207 4.7 24.2 1.0
CA B:PRO204 4.7 31.3 1.0
C B:LYS201 4.7 34.0 1.0
N B:ASP205 4.8 30.9 1.0
SD B:MET200 4.8 29.5 1.0
CA B:LYS201 4.8 33.8 1.0
N B:LYS201 4.8 32.6 1.0
CA B:MET200 5.0 30.8 1.0

Reference:

I.R.Hardcastle, C.E.Arris, J.Bentley, F.T.Boyle, Y.Chen, N.J.Curtin, J.A.Endicott, A.E.Gibson, B.T.Golding, R.J.Griffin, P.Jewsbury, J.Menyerol, V.Mesguiche, D.R.Newell, M.E.M.Noble, D.J.Pratt, L.-Z.Wang, H.J.Whitfield. N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem. V. 47 3710 2004.
ISSN: ISSN 0022-2623
PubMed: 15239650
DOI: 10.1021/JM0311442
Page generated: Tue Aug 13 10:39:40 2024

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