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Magnesium in PDB 4eoq: Thr 160 Phosphorylated CDK2 Wt - Human Cyclin A3 Complex with Atp

Enzymatic activity of Thr 160 Phosphorylated CDK2 Wt - Human Cyclin A3 Complex with Atp

All present enzymatic activity of Thr 160 Phosphorylated CDK2 Wt - Human Cyclin A3 Complex with Atp:
2.7.11.22;

Protein crystallography data

The structure of Thr 160 Phosphorylated CDK2 Wt - Human Cyclin A3 Complex with Atp, PDB code: 4eoq was solved by A.Echalier, E.Cot, A.Camasses, E.Hodimont, F.Hoh, F.Sheinerman, L.Krasinska, D.Fisher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.725, 134.190, 149.102, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 23.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Thr 160 Phosphorylated CDK2 Wt - Human Cyclin A3 Complex with Atp (pdb code 4eoq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Thr 160 Phosphorylated CDK2 Wt - Human Cyclin A3 Complex with Atp, PDB code: 4eoq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4eoq

Go back to Magnesium Binding Sites List in 4eoq
Magnesium binding site 1 out of 2 in the Thr 160 Phosphorylated CDK2 Wt - Human Cyclin A3 Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Thr 160 Phosphorylated CDK2 Wt - Human Cyclin A3 Complex with Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:41.6
occ:1.00
O1A A:ATP301 2.1 52.0 1.0
O A:HOH512 2.3 36.6 1.0
OD1 A:ASN132 2.3 14.4 1.0
OD2 A:ASP145 2.4 23.2 1.0
O3G A:ATP301 2.4 55.4 0.4
O1B A:ATP301 2.8 54.3 0.7
O3B A:ATP301 3.1 54.5 0.7
CG A:ASP145 3.3 21.4 1.0
PG A:ATP301 3.4 55.1 0.4
CG A:ASN132 3.4 14.8 1.0
PB A:ATP301 3.4 53.9 0.7
PA A:ATP301 3.5 53.0 1.0
CB A:ASP145 3.7 18.7 1.0
O3A A:ATP301 3.8 53.7 1.0
ND2 A:ASN132 3.8 14.2 1.0
O1G A:ATP301 4.1 54.9 0.4
O3' A:ATP301 4.2 44.4 1.0
C5' A:ATP301 4.3 47.5 1.0
O A:HOH548 4.3 26.3 1.0
OD1 A:ASP145 4.3 24.3 1.0
O5' A:ATP301 4.4 51.5 1.0
O2G A:ATP301 4.6 54.8 0.4
O2A A:ATP301 4.6 52.4 0.7
CB A:ASN132 4.7 14.9 1.0
C3' A:ATP301 4.8 43.8 1.0
O2B A:ATP301 4.9 53.7 0.7
CE A:LYS129 4.9 20.1 1.0
CA A:ASN132 4.9 15.2 1.0
O A:HOH463 4.9 30.0 1.0
O A:GLN131 5.0 15.9 1.0

Magnesium binding site 2 out of 2 in 4eoq

Go back to Magnesium Binding Sites List in 4eoq
Magnesium binding site 2 out of 2 in the Thr 160 Phosphorylated CDK2 Wt - Human Cyclin A3 Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Thr 160 Phosphorylated CDK2 Wt - Human Cyclin A3 Complex with Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:29.8
occ:1.00
O B:GLN203 2.4 34.5 1.0
O B:HOH716 2.4 17.6 1.0
O B:ILE206 2.7 30.1 1.0
O B:MET200 2.7 34.1 1.0
O B:HOH715 2.8 14.3 1.0
C B:GLN203 3.5 34.3 1.0
C B:MET200 3.8 33.7 1.0
C B:ILE206 3.8 30.2 1.0
CB B:GLN203 4.2 30.8 1.0
CA B:GLN203 4.2 32.7 1.0
N B:GLN203 4.3 33.9 1.0
CG B:MET200 4.5 33.2 1.0
CA B:LYS201 4.5 37.3 1.0
N B:ILE206 4.6 32.7 1.0
N B:LYS201 4.6 34.6 1.0
CA B:THR207 4.6 29.1 1.0
N B:PRO204 4.6 35.3 1.0
CG2 B:THR207 4.7 31.5 1.0
N B:THR207 4.7 29.4 1.0
C B:LYS201 4.7 37.7 1.0
C B:PRO204 4.7 37.4 1.0
CA B:MET200 4.8 31.9 1.0
O B:PRO204 4.8 39.0 1.0
CA B:ILE206 4.8 30.8 1.0
CA B:PRO204 4.8 37.2 1.0
O B:LYS201 4.9 39.4 1.0
SD B:MET200 4.9 34.9 1.0
N B:ASP205 4.9 36.1 1.0
O B:HOH624 5.0 8.8 1.0

Reference:

A.Echalier, E.Cot, A.Camasses, E.Hodimont, F.Hoh, P.Jay, F.Sheinerman, L.Krasinska, D.Fisher. An Integrated Chemical Biology Approach Provides Insight Into CDK2 Functional Redundancy and Inhibitor Sensitivity. Chem.Biol. V. 19 1028 2012.
ISSN: ISSN 1074-5521
PubMed: 22921070
DOI: 10.1016/J.CHEMBIOL.2012.06.015
Page generated: Fri Aug 16 14:35:04 2024

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