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

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

All present enzymatic activity of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Binary Complex with 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 Binary Complex with Atp-Gs and MG2P, PDB code: 3eqd 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) 25.00 / 2.10
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 77.010, 77.010, 222.370, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Other elements in 3eqd:

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

Calcium (Ca) 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 Binary Complex with Atp-Gs and MG2P (pdb code 3eqd). 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 Binary Complex with Atp-Gs and MG2P, PDB code: 3eqd:

Magnesium binding site 1 out of 1 in 3eqd

Go back to Magnesium Binding Sites List in 3eqd
Magnesium binding site 1 out of 1 in the X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Binary Complex with 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 Binary Complex with Atp-Gs and MG2P within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg3

b:39.0
occ:1.00
 OD2 A:ASP208 2.0 65.4 1.0
O1B A:AGS2 2.1 66.2 1.0
O A:HOH520 2.3 49.3 1.0
OD1 A:ASN195 2.3 31.8 1.0
O A:HOH521 2.5 50.8 1.0
O2A A:AGS2 2.5 62.8 1.0
CG A:ASP208 3.1 57.3 1.0
PB A:AGS2 3.4 67.8 1.0
PA A:AGS2 3.5 62.8 1.0
CG A:ASN195 3.5 43.0 1.0
O3A A:AGS2 3.7 65.7 1.0
CB A:ASP208 3.8 43.1 1.0
O5' A:AGS2 3.9 60.0 1.0
O A:SER194 4.0 35.2 1.0
NZ A:LYS97 4.0 66.1 1.0
ND2 A:ASN195 4.1 31.7 1.0
OD1 A:ASP208 4.1 58.4 1.0
O2G A:AGS2 4.1 76.0 1.0
O2B A:AGS2 4.3 67.9 1.0
OG A:SER194 4.4 40.1 1.0
O3B A:AGS2 4.5 72.6 1.0
SG A:CYS207 4.6 41.8 1.0
C A:SER194 4.6 35.5 1.0
CB A:ASN195 4.7 31.6 1.0
CA A:ASN195 4.7 31.4 1.0
O1A A:AGS2 4.8 63.7 1.0
PG A:AGS2 4.8 76.5 1.0
C3' A:AGS2 5.0 55.3 1.0
N A:ASN195 5.0 31.8 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 13:16:19 2024

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