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Magnesium in PDB 2iw6: Structure of Human THR160-Phospho CDK2-Cyclin A Complexed with A Bisanilinopyrimidine Inhibitor

Enzymatic activity of Structure of Human THR160-Phospho CDK2-Cyclin A Complexed with A Bisanilinopyrimidine Inhibitor

All present enzymatic activity of Structure of Human THR160-Phospho CDK2-Cyclin A Complexed with A Bisanilinopyrimidine Inhibitor:
2.7.1.37;

Protein crystallography data

The structure of Structure of Human THR160-Phospho CDK2-Cyclin A Complexed with A Bisanilinopyrimidine Inhibitor, PDB code: 2iw6 was solved by D.J.Pratt, J.Bentley, P.Jewsbury, F.T.Boyle, 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) 100.00 / 2.3
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.777, 134.557, 148.265, 90.00, 90.00, 90.00
R / Rfree (%) 22.8 / 28.7

Other elements in 2iw6:

The structure of Structure of Human THR160-Phospho CDK2-Cyclin A Complexed with A Bisanilinopyrimidine Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Human THR160-Phospho CDK2-Cyclin A Complexed with A Bisanilinopyrimidine Inhibitor (pdb code 2iw6). 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 Bisanilinopyrimidine Inhibitor, PDB code: 2iw6:

Magnesium binding site 1 out of 1 in 2iw6

Go back to Magnesium Binding Sites List in 2iw6
Magnesium binding site 1 out of 1 in the Structure of Human THR160-Phospho CDK2-Cyclin A Complexed with A Bisanilinopyrimidine 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 Bisanilinopyrimidine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1434

b:31.1
occ:1.00
 O B:GLN203 2.5 35.3 1.0
O B:MET200 2.6 40.4 1.0
O B:ILE206 2.6 36.9 1.0
C B:GLN203 3.5 36.7 1.0
C B:MET200 3.8 40.5 1.0
C B:ILE206 3.9 36.1 1.0
CB B:GLN203 3.9 36.2 1.0
CA B:GLN203 4.1 37.3 1.0
N B:GLN203 4.3 38.7 1.0
CG B:MET200 4.3 39.8 1.0
O B:LYS201 4.5 41.7 1.0
CA B:LYS201 4.5 42.2 1.0
N B:ILE206 4.5 36.3 1.0
N B:LYS201 4.6 40.7 1.0
C B:LYS201 4.6 42.2 1.0
SD B:MET200 4.7 37.4 1.0
N B:PRO204 4.7 36.9 1.0
N B:THR207 4.7 35.9 1.0
CA B:THR207 4.7 35.3 1.0
CA B:MET200 4.8 39.7 1.0
N B:ASP205 4.8 36.5 1.0
C B:PRO204 4.8 36.9 1.0
CA B:ILE206 4.8 35.8 1.0
CG2 B:THR207 5.0 35.5 1.0

Reference:

D.J.Pratt, J.Bentley, P.Jewsbury, F.T.Boyle, J.A.Endicott, M.E.M.Noble. Dissecting the Determinants of Cyclin-Dependent Kinase 2 and Cyclin-Dependent Kinase 4 Inhibitor Selectivity. J.Med.Chem. V. 49 5470 2006.
ISSN: ISSN 0022-2623
PubMed: 16942020
DOI: 10.1021/JM060216X
Page generated: Mon Dec 14 07:27:54 2020

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