Magnesium in PDB 4gt3: Atp-Bound Form of the ERK2 Kinase

All present enzymatic activity of Atp-Bound Form of the ERK2 Kinase:
2.7.11.24;

The structure of Atp-Bound Form of the ERK2 Kinase, PDB code: 4gt3 was solved by E.Pozharski, J.Zhang, P.Shapiro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.29 / 1.68
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.629, 69.259, 59.816, 90.00, 109.03, 90.00
R / Rfree (%)	16.6 / 20

The binding sites of Magnesium atom in the Atp-Bound Form of the ERK2 Kinase (pdb code 4gt3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Atp-Bound Form of the ERK2 Kinase, PDB code: 4gt3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Atp-Bound Form of the ERK2 Kinase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Atp-Bound Form of the ERK2 Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:41.0 occ:1.00 O A:HOH660 2.0 47.9 1.0 O A:HOH588 2.0 49.2 1.0 O2B A:ATP402 2.1 56.1 1.0 OD1 A:ASN152 2.1 27.4 1.0 O2G A:ATP402 2.2 50.6 1.0 OD2 A:ASP165 2.3 47.3 1.0 CG A:ASN152 3.2 31.3 1.0 CG A:ASP165 3.3 43.8 1.0 PG A:ATP402 3.3 64.5 1.0 PB A:ATP402 3.3 67.4 1.0 CB A:ASP165 3.6 33.1 1.0 O3B A:ATP402 3.6 60.3 1.0 ND2 A:ASN152 3.6 27.1 1.0 O3G A:ATP402 3.7 65.9 1.0 O2A A:ATP402 4.1 99.0 1.0 O3A A:ATP402 4.3 67.8 1.0 O1B A:ATP402 4.4 56.1 1.0 OD1 A:ASP165 4.4 38.8 1.0 CB A:ASN152 4.5 26.1 1.0 OG A:SER151 4.6 32.9 1.0 O A:HOH659 4.6 53.2 1.0 O A:SER151 4.6 27.8 1.0 PA A:ATP402 4.6 80.5 1.0 O1G A:ATP402 4.7 64.3 1.0 CA A:ASN152 4.8 23.9 1.0 CE A:LYS149 4.8 34.9 1.0 C A:SER151 4.9 26.5 1.0 O1A A:ATP402 4.9 88.3 1.0 N A:ASN152 5.0 22.6 1.0 CA A:ASP165 5.0 28.1 1.0

Magnesium binding site 2 out of 2 in the Atp-Bound Form of the ERK2 Kinase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Atp-Bound Form of the ERK2 Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:44.3 occ:1.00 O A:HOH656 1.9 44.6 1.0 O A:HOH698 2.0 51.3 1.0 O A:HOH618 2.0 39.1 1.0 O A:HOH639 2.0 41.9 1.0 O A:HOH699 2.1 52.9 1.0 O A:HOH657 2.2 44.2 1.0 OD2 A:ASP319 4.1 32.1 1.0 OE1 A:GLU79 4.1 34.3 1.0 OE2 A:GLU79 4.2 44.2 1.0 OD1 A:ASP319 4.3 31.4 1.0 CD A:GLU79 4.6 38.1 1.0 CG A:ASP319 4.6 30.5 1.0 O A:HOH571 4.7 44.2 1.0 NH2 A:ARG133 4.8 25.5 1.0

E.Pozharski, J.Zhang, P.Shapiro. Atp-Bound Form of the ERK2 Kinase To Be Published.