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Magnesium in PDB 3eqc: X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Compound 1, Atp-Gs and MG2P

Enzymatic activity of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Compound 1, Atp-Gs and MG2P

All present enzymatic activity of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Compound 1, Atp-Gs and MG2P:
2.7.12.2;

Protein crystallography data

The structure of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Compound 1, Atp-Gs and MG2P, PDB code: 3eqc was solved by T.O.Fischmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.80
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 77.220, 77.220, 222.050, 90.00, 90.00, 120.00
R / Rfree (%) 19.9 / 23.5

Other elements in 3eqc:

The structure of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Compound 1, Atp-Gs and MG2P also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Iodine (I) 1 atom
Calcium (Ca) 1 atom
Chlorine (Cl) 1 atom
Sodium (Na) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Compound 1, Atp-Gs and MG2P (pdb code 3eqc). 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 X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Compound 1, Atp-Gs and MG2P, PDB code: 3eqc:

Magnesium binding site 1 out of 1 in 3eqc

Go back to Magnesium Binding Sites List in 3eqc
Magnesium binding site 1 out of 1 in the X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Compound 1, Atp-Gs and MG2P


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Compound 1, Atp-Gs and MG2P within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg3

b:23.3
occ:1.00
 OD2 A:ASP208 2.1 40.4 1.0
O1B A:AGS2 2.2 34.0 1.0
OD1 A:ASN195 2.3 27.8 1.0
O A:HOH569 2.3 28.7 1.0
O2A A:AGS2 2.3 35.2 1.0
O A:HOH568 2.4 39.3 1.0
CG A:ASP208 3.3 39.4 1.0
PA A:AGS2 3.4 35.1 1.0
CG A:ASN195 3.4 30.4 1.0
PB A:AGS2 3.5 37.4 1.0
O3A A:AGS2 3.8 41.1 1.0
O5' A:AGS2 3.9 32.0 1.0
O A:HOH494 3.9 40.5 1.0
ND2 A:ASN195 4.0 26.6 1.0
NZ A:LYS97 4.0 32.6 1.0
CB A:ASP208 4.0 30.5 1.0
O A:SER194 4.1 24.7 1.0
OD1 A:ASP208 4.2 44.0 1.0
O2G A:AGS2 4.2 54.9 1.0
O17 A:3BM1 4.2 63.1 1.0
OG A:SER194 4.3 25.1 1.0
O2B A:AGS2 4.4 36.5 1.0
O3B A:AGS2 4.5 47.7 1.0
C A:SER194 4.5 25.4 1.0
CB A:ASN195 4.6 26.9 1.0
O1A A:AGS2 4.7 37.2 1.0
CA A:ASN195 4.8 22.3 1.0
SG A:CYS207 4.8 22.4 0.5
C3' A:AGS2 4.9 39.7 1.0
N A:ASN195 4.9 20.9 1.0
PG A:AGS2 4.9 58.9 1.0
CE A:LYS97 4.9 44.6 1.0
CB A:SER194 5.0 24.8 1.0

Reference:

T.O.Fischmann, C.K.Smith, T.W.Mayhood, J.E.Myers, P.Reichert, A.Mannarino, D.Carr, H.Zhu, J.Wong, R.S.Yang, H.V.Le, V.S.Madison. Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry V. 48 2661 2009.
ISSN: ISSN 0006-2960
PubMed: 19161339
DOI: 10.1021/BI801898E
Page generated: Wed Aug 14 13:15:51 2024

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