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Calcium 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
Magnesium (Mg) 1 atom
Iodine (I) 1 atom
Chlorine (Cl) 1 atom
Sodium (Na) 1 atom

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total only one binding site of Calcium 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:

Calcium binding site 1 out of 1 in 3eqc

Go back to Calcium Binding Sites List in 3eqc
Calcium 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 Calcium with other atoms in the Ca 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:Ca5

b:31.9
occ:0.50
 OD1 A:ASP66 2.0 46.9 1.0
OD2 A:ASP65 2.5 71.8 1.0
CG A:ASP66 2.9 51.1 1.0
OD2 A:ASP66 3.3 67.8 1.0
CG A:ASP65 3.4 63.7 1.0
CB A:ASP65 3.7 42.3 1.0
O A:HOH485 4.0 39.6 1.0
N A:ASP66 4.0 41.3 1.0
CB A:ASP66 4.2 41.9 1.0
CA A:ASP66 4.3 40.0 1.0
NA A:NA6 4.4 37.6 1.0
C A:ASP65 4.4 44.6 1.0
OD1 A:ASP65 4.4 63.5 1.0
CA A:ASP65 4.7 39.8 1.0
O A:ASP65 5.0 41.7 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: Sat Dec 12 04:10:26 2020

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