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Magnesium in PDB 2p55: X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Complex with Ligand and Mgatp

Enzymatic activity of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Complex with Ligand and Mgatp

All present enzymatic activity of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Complex with Ligand and Mgatp:
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 Complex with Ligand and Mgatp, PDB code: 2p55 was solved by J.F.Ohren, A.G.Pavlovsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.80
Space group P 62
Cell size a, b, c (Å), α, β, γ (°) 81.634, 81.634, 129.086, 90.00, 90.00, 120.00
R / Rfree (%) 22.8 / 30.1

Other elements in 2p55:

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

Fluorine (F) 3 atoms

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 Complex with Ligand and Mgatp (pdb code 2p55). 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 Complex with Ligand and Mgatp, PDB code: 2p55:

Magnesium binding site 1 out of 1 in 2p55

Go back to Magnesium Binding Sites List in 2p55
Magnesium binding site 1 out of 1 in the X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Complex with Ligand and Mgatp


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 Complex with Ligand and Mgatp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg9002

b:37.2
occ:1.00
 O1B A:ATP9001 2.1 43.4 1.0
OD2 A:ASP208 2.1 56.8 1.0
O2A A:ATP9001 2.2 43.8 1.0
OD1 A:ASN195 2.3 61.9 1.0
PA A:ATP9001 3.2 43.4 1.0
PB A:ATP9001 3.3 42.2 1.0
CG A:ASP208 3.3 56.6 1.0
O3A A:ATP9001 3.5 43.7 1.0
CG A:ASN195 3.5 60.9 1.0
O5' A:ATP9001 3.6 46.2 1.0
O A:HOH9040 3.8 20.0 1.0
NZ A:LYS97 3.8 71.6 1.0
O A:SER194 3.8 60.7 1.0
H3' A:ATP9001 4.0 0.0 0.0
CB A:ASP208 4.1 56.3 1.0
O3G A:ATP9001 4.1 46.8 1.0
OD1 A:ASP208 4.2 57.9 1.0
OG A:SER194 4.2 61.8 1.0
O2B A:ATP9001 4.2 43.7 1.0
ND2 A:ASN195 4.3 61.4 1.0
C A:SER194 4.4 60.3 1.0
CA A:ASN195 4.4 60.4 1.0
O3B A:ATP9001 4.5 45.2 1.0
H172 A:MRA9000 4.5 0.0 0.0
H8 A:ATP9001 4.5 0.0 0.0
CB A:ASN195 4.6 60.5 1.0
O1A A:ATP9001 4.6 45.1 1.0
N A:ASN195 4.7 60.3 1.0
SG A:CYS207 4.7 59.3 1.0
O2 A:MRA9000 4.7 86.0 1.0
H161 A:MRA9000 4.8 0.0 0.0
PG A:ATP9001 4.9 45.2 1.0
C5' A:ATP9001 4.9 48.2 1.0
CB A:SER194 4.9 60.4 1.0
CE A:LYS97 5.0 71.2 1.0

Reference:

J.A.Spicer, G.W.Rewcastle, M.D.Kaufman, S.L.Black, M.S.Plummer, W.A.Denny, J.Quin, A.B.Shahripour, S.D.Barrett, C.E.Whitehead, J.B.Milbank, J.F.Ohren, R.C.Gowan, C.Omer, H.S.Camp, N.Esmaeil, K.Moore, J.S.Sebolt-Leopold, S.Pryzbranowski, R.L.Merriman, D.F.Ortwine, J.S.Warmus, C.M.Flamme, A.G.Pavlovsky, H.Tecle. 4-Anilino-5-Carboxamido-2-Pyridone Derivatives As Noncompetitive Inhibitors of Mitogen-Activated Protein Kinase Kinase. J.Med.Chem. V. 50 5090 2007.
ISSN: ISSN 0022-2623
PubMed: 17880056
DOI: 10.1021/JM0704548
Page generated: Wed Aug 14 02:03:47 2024

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