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Magnesium in PDB 4eoo: Thr 160 Phosphorylated CDK2 Q131E - Human Cyclin A3 Complex with Atp

Enzymatic activity of Thr 160 Phosphorylated CDK2 Q131E - Human Cyclin A3 Complex with Atp

All present enzymatic activity of Thr 160 Phosphorylated CDK2 Q131E - Human Cyclin A3 Complex with Atp:
2.7.11.22;

Protein crystallography data

The structure of Thr 160 Phosphorylated CDK2 Q131E - Human Cyclin A3 Complex with Atp, PDB code: 4eoo 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) 29.79 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.110, 134.490, 148.690, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 25.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Thr 160 Phosphorylated CDK2 Q131E - Human Cyclin A3 Complex with Atp (pdb code 4eoo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Thr 160 Phosphorylated CDK2 Q131E - Human Cyclin A3 Complex with Atp, PDB code: 4eoo:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 4eoo

Go back to Magnesium Binding Sites List in 4eoo
Magnesium binding site 1 out of 3 in the Thr 160 Phosphorylated CDK2 Q131E - 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 Q131E - Human Cyclin A3 Complex with Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:37.3
occ:1.00
O3G A:ATP302 2.1 52.6 0.3
OD2 A:ASP145 2.2 27.2 1.0
O1A A:ATP302 2.2 37.2 1.0
OD1 A:ASN132 2.3 20.7 1.0
O1B A:ATP302 2.7 50.9 1.0
O3B A:ATP302 2.9 52.9 1.0
PG A:ATP302 3.1 52.4 0.3
CG A:ASP145 3.2 26.8 1.0
PB A:ATP302 3.2 48.5 1.0
CG A:ASN132 3.3 21.1 1.0
PA A:ATP302 3.4 38.8 1.0
ND2 A:ASN132 3.6 19.8 1.0
CB A:ASP145 3.6 24.8 1.0
O3A A:ATP302 3.6 44.9 1.0
O1G A:ATP302 4.0 50.5 0.3
O2G A:ATP302 4.2 51.4 0.3
OD1 A:ASP145 4.2 28.6 1.0
C5' A:ATP302 4.3 37.8 1.0
O5' A:ATP302 4.4 39.5 1.0
O3' A:ATP302 4.4 36.5 1.0
O2A A:ATP302 4.6 37.4 1.0
CB A:ASN132 4.6 21.4 1.0
OE1 A:GLU131 4.7 36.0 1.0
O2B A:ATP302 4.7 51.7 1.0
C3' A:ATP302 4.9 36.3 1.0
CE A:LYS129 4.9 24.3 1.0
CA A:ASN132 5.0 22.2 1.0

Magnesium binding site 2 out of 3 in 4eoo

Go back to Magnesium Binding Sites List in 4eoo
Magnesium binding site 2 out of 3 in the Thr 160 Phosphorylated CDK2 Q131E - 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 Q131E - Human Cyclin A3 Complex with Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:40.1
occ:1.00
O B:GLN203 2.3 41.4 1.0
O B:HOH714 2.6 44.6 1.0
O B:MET200 2.6 36.9 1.0
O B:ILE206 2.7 36.9 1.0
O B:HOH713 2.7 43.7 1.0
C B:GLN203 3.4 40.6 1.0
C B:MET200 3.8 38.7 1.0
C B:ILE206 3.9 37.6 1.0
CB B:GLN203 4.0 37.2 1.0
CA B:GLN203 4.1 39.5 1.0
N B:GLN203 4.3 40.2 1.0
CG B:MET200 4.4 40.7 1.0
O B:LYS201 4.5 47.8 1.0
N B:PRO204 4.5 40.5 1.0
C B:PRO204 4.6 41.6 1.0
O B:PRO204 4.6 42.2 1.0
N B:ILE206 4.6 40.4 1.0
C B:LYS201 4.6 45.2 1.0
CA B:LYS201 4.6 44.6 1.0
N B:LYS201 4.7 40.3 1.0
CA B:THR207 4.7 36.9 1.0
CA B:PRO204 4.7 41.8 1.0
CA B:MET200 4.7 38.0 1.0
N B:THR207 4.7 36.6 1.0
SD B:MET200 4.8 43.5 1.0
CG2 B:THR207 4.8 36.7 1.0
CA B:ILE206 4.9 38.0 1.0

Magnesium binding site 3 out of 3 in 4eoo

Go back to Magnesium Binding Sites List in 4eoo
Magnesium binding site 3 out of 3 in the Thr 160 Phosphorylated CDK2 Q131E - 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 3 of Thr 160 Phosphorylated CDK2 Q131E - Human Cyclin A3 Complex with Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg302

b:57.8
occ:1.00
O3B C:ATP301 2.1 55.4 1.0
OD1 C:ASN132 2.3 34.2 1.0
O1A C:ATP301 2.4 55.8 1.0
O3G C:ATP301 2.4 55.2 0.3
OD2 C:ASP145 2.5 45.9 1.0
PG C:ATP301 2.8 55.6 0.3
CG C:ASN132 3.2 35.3 1.0
ND2 C:ASN132 3.5 33.7 1.0
PB C:ATP301 3.5 58.1 1.0
CG C:ASP145 3.5 44.2 1.0
PA C:ATP301 3.6 58.3 1.0
O1G C:ATP301 3.8 54.8 0.3
O2G C:ATP301 3.9 54.7 0.3
O3A C:ATP301 3.9 56.3 1.0
CB C:ASP145 3.9 42.1 1.0
O1B C:ATP301 4.0 52.7 1.0
OE2 C:GLU131 4.1 49.3 1.0
C5' C:ATP301 4.1 55.1 1.0
O5' C:ATP301 4.4 55.8 1.0
CG C:GLU131 4.5 45.5 1.0
OD1 C:ASP145 4.6 45.4 1.0
CB C:ASN132 4.6 36.4 1.0
O2B C:ATP301 4.6 57.5 1.0
O C:HOH421 4.7 60.3 1.0
CE C:LYS129 4.7 44.4 1.0
OD2 C:ASP127 4.8 47.6 1.0
CD C:GLU131 4.8 49.1 1.0
O2A C:ATP301 4.8 55.4 1.0
O3' C:ATP301 4.9 59.2 1.0
CA C:ASN132 4.9 38.3 1.0
O C:GLU131 5.0 41.6 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 14:34:39 2024

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