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Chlorine 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
Calcium (Ca) 1 atom
Sodium (Na) 1 atom

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 1 in 3eqc

Go back to Chlorine Binding Sites List in 3eqc
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1

b:37.6
occ:1.00
 CL24 A:3BM1 0.0 37.6 1.0
C06 A:3BM1 1.7 35.9 1.0
C05 A:3BM1 2.7 34.4 1.0
C01 A:3BM1 2.7 35.0 1.0
N07 A:3BM1 2.9 38.4 1.0
OD1 A:ASP208 3.4 44.0 1.0
CG2 A:ILE141 3.5 34.8 1.0
O16 A:3BM1 3.7 46.2 1.0
CD1 A:ILE141 3.7 40.2 1.0
CD A:LYS97 3.7 43.8 1.0
CB A:ILE141 3.9 36.6 1.0
CE A:LYS97 3.9 44.6 1.0
CE A:MET143 4.0 33.4 1.0
C04 A:3BM1 4.0 31.6 1.0
C02 A:3BM1 4.0 27.9 1.0
NZ A:LYS97 4.0 32.6 1.0
SD A:MET143 4.2 36.9 1.0
C08 A:3BM1 4.3 39.2 1.0
CB A:LYS97 4.4 32.2 1.0
CG1 A:ILE141 4.4 38.2 1.0
CG A:ASP208 4.5 39.4 1.0
C03 A:3BM1 4.5 27.7 1.0
SG A:CYS207 4.6 35.8 0.5
C14 A:3BM1 4.6 45.8 1.0
O A:HOH494 4.6 40.5 1.0
CG A:LYS97 4.6 34.5 1.0
C09 A:3BM1 5.0 41.1 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: Fri Jul 11 04:50:50 2025

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