Iodine in PDB 4mne: Crystal Structure of the Braf:MEK1 Complex

Enzymatic activity of Crystal Structure of the Braf:MEK1 Complex

All present enzymatic activity of Crystal Structure of the Braf:MEK1 Complex:
2.7.11.1; 2.7.12.2;

Protein crystallography data

The structure of Crystal Structure of the Braf:MEK1 Complex, PDB code: 4mne was solved by J.Sudhamsu, J.R.Haling, T.Morales, B.Brandhuber, S.G.Hymowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.59 / 2.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 97.498, 135.657, 256.059, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 24

Other elements in 4mne:

The structure of Crystal Structure of the Braf:MEK1 Complex also contains other interesting chemical elements:

Fluorine (F) 10 atoms
Magnesium (Mg) 4 atoms
Chlorine (Cl) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of the Braf:MEK1 Complex (pdb code 4mne). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the Crystal Structure of the Braf:MEK1 Complex, PDB code: 4mne:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in 4mne

Go back to Iodine Binding Sites List in 4mne
Iodine binding site 1 out of 5 in the Crystal Structure of the Braf:MEK1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of the Braf:MEK1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I903

b:46.0
occ:1.00
 I27 A:573903 0.0 46.0 1.0
C23 A:573903 2.1 51.9 1.0
C24 A:573903 3.1 44.5 1.0
C22 A:573903 3.1 43.5 1.0
O A:VAL127 3.4 29.0 1.0
CE2 A:PHE209 4.1 44.2 1.0
C A:VAL127 4.1 32.2 1.0
CZ A:PHE209 4.2 43.8 1.0
CB A:VAL127 4.3 28.1 1.0
SG A:CYS207 4.3 28.9 0.5
C25 A:573903 4.4 41.5 1.0
C21 A:573903 4.4 41.8 1.0
CG1 A:VAL127 4.4 27.1 1.0
CD1 A:LEU118 4.4 43.8 1.0
O A:GLY128 4.5 36.4 1.0
CD2 A:LEU118 4.6 46.8 1.0
CA A:VAL127 4.7 33.8 1.0
C A:GLY128 4.7 38.7 1.0
CB A:MET143 4.8 35.6 1.0
CA A:CYS207 4.9 34.7 0.5
CB A:PHE129 4.9 31.4 1.0
SD A:MET143 4.9 44.6 1.0
C20 A:573903 4.9 43.9 1.0
CA A:CYS207 4.9 34.7 0.5
CB A:CYS207 4.9 33.0 0.5
N A:GLY128 5.0 36.1 1.0
N A:VAL127 5.0 32.5 1.0
CD2 A:PHE209 5.0 39.4 1.0

Iodine binding site 2 out of 5 in 4mne

Go back to Iodine Binding Sites List in 4mne
Iodine binding site 2 out of 5 in the Crystal Structure of the Braf:MEK1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of the Braf:MEK1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I903

b:37.8
occ:1.00
 I27 D:573903 0.0 37.8 1.0
C23 D:573903 2.1 42.0 1.0
C24 D:573903 3.0 35.6 1.0
C22 D:573903 3.1 33.8 1.0
O D:VAL127 3.4 26.2 1.0
CE2 D:PHE209 4.0 23.9 1.0
CG1 D:VAL127 4.0 27.5 1.0
CB D:VAL127 4.1 31.9 1.0
CZ D:PHE209 4.2 27.0 1.0
C D:VAL127 4.2 28.5 1.0
CD2 D:LEU118 4.3 32.8 1.0
O D:GLY128 4.3 29.6 1.0
C25 D:573903 4.4 38.4 1.0
C21 D:573903 4.4 37.2 1.0
CB D:PHE129 4.5 31.3 1.0
SG D:CYS207 4.7 54.3 1.0
C D:GLY128 4.7 27.0 1.0
CA D:VAL127 4.7 29.3 1.0
CD1 D:LEU118 4.7 31.2 1.0
CG2 D:ILE126 4.9 33.0 1.0
C20 D:573903 4.9 42.0 1.0
CB D:MET143 5.0 33.4 1.0
CD2 D:PHE209 5.0 28.2 1.0
N D:PHE129 5.0 31.3 1.0

Iodine binding site 3 out of 5 in 4mne

Go back to Iodine Binding Sites List in 4mne
Iodine binding site 3 out of 5 in the Crystal Structure of the Braf:MEK1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of the Braf:MEK1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:I903

b:55.3
occ:1.00
 I27 E:573903 0.0 55.3 1.0
C23 E:573903 2.1 54.3 1.0
C24 E:573903 3.0 47.1 1.0
C22 E:573903 3.1 48.6 1.0
O E:VAL127 3.5 32.4 1.0
SG E:CYS207 3.9 36.8 0.5
CE2 E:PHE209 3.9 41.4 1.0
CB E:VAL127 4.0 36.0 1.0
CZ E:PHE209 4.1 43.9 1.0
C E:VAL127 4.2 39.6 1.0
C25 E:573903 4.3 47.6 1.0
C21 E:573903 4.4 47.6 1.0
CG1 E:VAL127 4.4 34.9 1.0
CA E:VAL127 4.5 36.8 1.0
CD1 E:LEU118 4.6 55.1 1.0
CB E:CYS207 4.7 40.7 0.5
O E:GLY128 4.7 48.7 1.0
SD E:MET143 4.7 51.0 1.0
CB E:MET143 4.8 54.9 1.0
N E:VAL127 4.8 37.7 1.0
CD2 E:PHE209 4.9 44.8 1.0
CA E:CYS207 4.9 41.7 0.5
CD2 E:LEU118 4.9 58.3 1.0
C20 E:573903 4.9 47.7 1.0
CA E:CYS207 4.9 41.7 0.5
CG2 E:ILE126 4.9 45.1 1.0
C E:GLY128 5.0 53.2 1.0
CB E:CYS207 5.0 40.7 0.5

Iodine binding site 4 out of 5 in 4mne

Go back to Iodine Binding Sites List in 4mne
Iodine binding site 4 out of 5 in the Crystal Structure of the Braf:MEK1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of the Braf:MEK1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
H:I903

b:43.1
occ:1.00
 I27 H:573903 0.0 43.1 1.0
C23 H:573903 2.1 43.4 1.0
C24 H:573903 3.0 37.5 1.0
C22 H:573903 3.1 40.9 1.0
O H:VAL127 3.4 27.7 1.0
CG1 H:VAL127 3.7 37.1 1.0
CB H:VAL127 4.0 39.3 1.0
C H:VAL127 4.0 37.5 1.0
CE2 H:PHE209 4.0 34.3 1.0
CZ H:PHE209 4.1 34.9 1.0
CD1 H:LEU118 4.1 37.5 1.0
C25 H:573903 4.3 39.1 1.0
SG H:CYS207 4.3 50.5 1.0
O H:GLY128 4.3 32.0 1.0
C21 H:573903 4.4 40.9 1.0
CA H:VAL127 4.5 41.6 1.0
C H:GLY128 4.5 30.5 1.0
CD2 H:LEU118 4.8 39.5 1.0
CB H:PHE129 4.8 35.2 1.0
N H:PHE129 4.8 39.1 1.0
C20 H:573903 4.9 42.1 1.0
N H:GLY128 4.9 30.9 1.0
CB H:MET143 4.9 33.9 1.0
N H:VAL127 4.9 40.5 1.0
CG2 H:ILE126 4.9 41.4 1.0
CA H:PHE129 4.9 40.2 1.0
CG H:LEU118 5.0 38.1 1.0

Iodine binding site 5 out of 5 in 4mne

Go back to Iodine Binding Sites List in 4mne
Iodine binding site 5 out of 5 in the Crystal Structure of the Braf:MEK1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of the Braf:MEK1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
H:I904

b:61.8
occ:1.00
 I27 H:573904 0.0 61.8 1.0
C23 H:573904 2.1 62.4 1.0
C24 H:573904 3.1 59.8 1.0
C22 H:573904 3.1 55.9 1.0
CG H:HIS87 3.5 58.2 1.0
CD2 H:HIS87 3.7 57.5 1.0
CB H:HIS87 3.7 53.2 1.0
ND1 H:HIS87 4.0 53.5 1.0
NE2 H:HIS87 4.2 60.3 1.0
SD H:MET94 4.4 41.7 1.0
CE2 H:PHE68 4.4 55.7 1.0
CE1 H:HIS87 4.4 56.6 1.0
CZ H:PHE68 4.4 58.5 1.0
C25 H:573904 4.4 56.0 1.0
C21 H:573904 4.4 44.8 1.0
CE H:MET94 4.5 41.8 1.0
CD1 H:LEU92 4.8 57.0 1.0
OG H:SER90 5.0 60.7 1.0
C20 H:573904 5.0 54.4 1.0

Reference:

J.R.Haling, J.Sudhamsu, I.Yen, S.Sideris, W.Sandoval, W.Phung, B.J.Bravo, A.M.Giannetti, A.Peck, A.Masselot, T.Morales, D.Smith, B.J.Brandhuber, S.G.Hymowitz, S.Malek. Structure of the Braf-Mek Complex Reveals A Kinase Activity Independent Role For Braf in Mapk Signaling. Cancer Cell V. 26 402 2014.
ISSN: ISSN 1535-6108
PubMed: 25155755
DOI: 10.1016/J.CCR.2014.07.007
Page generated: Sun Dec 13 19:34:55 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy