Atomistry » Fluorine » PDB 7hm5-7juu » 7juu
Atomistry »
  Fluorine »
    PDB 7hm5-7juu »
      7juu »

Fluorine in PDB 7juu: Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901

Enzymatic activity of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901

All present enzymatic activity of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901:
2.7.11.1; 2.7.12.2;

Protein crystallography data

The structure of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901, PDB code: 7juu was solved by Z.M.Khan, A.C.Dar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.03 / 3.19
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 140.000, 140.000, 220.000, 90.00, 90.00, 120.00
R / Rfree (%) 24.1 / 25.8

Other elements in 7juu:

The structure of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901 also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Iodine (I) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901 (pdb code 7juu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901, PDB code: 7juu:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7juu

Go back to Fluorine Binding Sites List in 7juu
Fluorine binding site 1 out of 3 in the Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F402

b:0.7
occ:1.00
 F24 C:4BM402 0.0 0.7 1.0
C06 C:4BM402 1.4 0.7 1.0
C01 C:4BM402 2.4 0.6 1.0
C05 C:4BM402 2.4 0.7 1.0
N07 C:4BM402 2.8 0.5 1.0
OD1 C:ASP208 2.9 0.8 1.0
CE C:MET143 3.4 0.7 1.0
CG2 C:ILE141 3.5 0.8 1.0
C02 C:4BM402 3.7 0.1 1.0
C04 C:4BM402 3.7 0.3 1.0
CD1 C:ILE141 3.7 0.2 1.0
CD C:LYS97 3.8 0.5 1.0
O16 C:4BM402 3.9 0.4 1.0
CB C:ILE141 4.0 0.6 1.0
C03 C:4BM402 4.2 0.4 1.0
CG C:ASP208 4.2 0.3 1.0
C08 C:4BM402 4.3 0.5 1.0
NZ C:LYS97 4.4 0.3 1.0
CG1 C:ILE141 4.5 0.9 1.0
CA C:ASP208 4.6 0.3 1.0
CE C:LYS97 4.7 0.5 1.0
SD C:MET143 4.7 0.5 1.0
N C:ASP208 4.7 0.7 1.0
CG C:LYS97 4.8 0.6 1.0
CB C:LYS97 4.8 0.4 1.0
C14 C:4BM402 4.9 0.8 1.0
F25 C:4BM402 4.9 0.4 1.0

Fluorine binding site 2 out of 3 in 7juu

Go back to Fluorine Binding Sites List in 7juu
Fluorine binding site 2 out of 3 in the Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F402

b:0.4
occ:1.00
 F25 C:4BM402 0.0 0.4 1.0
C13 C:4BM402 1.3 0.9 1.0
C12 C:4BM402 2.3 0.6 1.0
C08 C:4BM402 2.4 0.5 1.0
F26 C:4BM402 2.7 0.3 1.0
N07 C:4BM402 2.9 0.5 1.0
C02 C:4BM402 2.9 0.1 1.0
C01 C:4BM402 3.1 0.6 1.0
CD2 C:LEU115 3.2 0.7 1.0
CD1 C:ILE141 3.6 0.2 1.0
CG1 C:VAL211 3.6 0.9 1.0
C11 C:4BM402 3.6 0.3 1.0
C09 C:4BM402 3.6 0.7 1.0
C03 C:4BM402 4.0 0.4 1.0
CD2 C:LEU215 4.1 1.0 1.0
C10 C:4BM402 4.1 0.4 1.0
C06 C:4BM402 4.2 0.7 1.0
O C:PHE209 4.2 0.2 1.0
CD1 C:LEU118 4.3 0.3 1.0
CG C:LEU115 4.7 1.0 1.0
CB C:VAL211 4.8 0.8 1.0
N C:VAL211 4.9 0.6 1.0
C04 C:4BM402 4.9 0.3 1.0
C14 C:4BM402 4.9 0.8 1.0
F24 C:4BM402 4.9 0.7 1.0
CG1 C:ILE141 4.9 0.9 1.0
C05 C:4BM402 5.0 0.7 1.0

Fluorine binding site 3 out of 3 in 7juu

Go back to Fluorine Binding Sites List in 7juu
Fluorine binding site 3 out of 3 in the Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F402

b:0.3
occ:1.00
 F26 C:4BM402 0.0 0.3 1.0
C12 C:4BM402 1.4 0.6 1.0
C13 C:4BM402 2.4 0.9 1.0
C11 C:4BM402 2.4 0.3 1.0
F25 C:4BM402 2.7 0.4 1.0
N C:SER212 2.8 0.1 1.0
CB C:SER212 3.1 0.4 1.0
CG1 C:VAL211 3.2 0.9 1.0
N C:VAL211 3.3 0.6 1.0
CA C:SER212 3.4 0.1 1.0
C10 C:4BM402 3.6 0.4 1.0
C08 C:4BM402 3.6 0.5 1.0
CD2 C:LEU215 3.7 1.0 1.0
C C:VAL211 3.7 0.1 1.0
O C:SER212 3.8 0.8 1.0
CA C:VAL211 3.9 0.8 1.0
CD2 C:LEU115 3.9 0.7 1.0
CB C:VAL211 4.1 0.8 1.0
C C:SER212 4.1 0.5 1.0
C09 C:4BM402 4.1 0.7 1.0
CB C:LEU215 4.2 0.5 1.0
O C:PHE209 4.2 0.2 1.0
OG C:SER212 4.3 0.1 1.0
C C:GLY210 4.3 0.4 1.0
CG C:LEU215 4.4 0.1 1.0
CA C:GLY210 4.5 0.5 1.0
O C:VAL211 4.8 0.6 1.0
N07 C:4BM402 4.9 0.5 1.0

Reference:

Z.M.Khan, A.M.Real, W.M.Marsiglia, A.Chow, M.E.Duffy, J.R.Yerabolu, A.P.Scopton, A.C.Dar. Structural Basis For the Action of the Drug Trametinib at Ksr-Bound Mek. Nature 2020.
ISSN: ESSN 1476-4687
PubMed: 32927473
DOI: 10.1038/S41586-020-2760-4
Page generated: Fri Aug 2 08:03:05 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy