Atomistry » Fluorine » PDB 3uyt-3vrb » 3v04
Atomistry »
  Fluorine »
    PDB 3uyt-3vrb »
      3v04 »

Fluorine in PDB 3v04: Discovery of Novel Allosteric Mek Inhibitors Possessing Classical and Non-Classical Bidentate SER212 Interactions.

Enzymatic activity of Discovery of Novel Allosteric Mek Inhibitors Possessing Classical and Non-Classical Bidentate SER212 Interactions.

All present enzymatic activity of Discovery of Novel Allosteric Mek Inhibitors Possessing Classical and Non-Classical Bidentate SER212 Interactions.:
2.7.12.2;

Protein crystallography data

The structure of Discovery of Novel Allosteric Mek Inhibitors Possessing Classical and Non-Classical Bidentate SER212 Interactions., PDB code: 3v04 was solved by R.Heald, P.Jackson, P.Savy, M.Jones, E.Gancia, B.Burton, R.Newman, J.Boggs, E.Chan, J.Chan, E.Choo, M.Merchant, M.Ultsch, C.Wiesmann, M.Belvin, S.Price, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.70
Space group P 62
Cell size a, b, c (Å), α, β, γ (°) 82.113, 82.113, 129.303, 90.00, 90.00, 120.00
R / Rfree (%) 21.2 / 24.3

Other elements in 3v04:

The structure of Discovery of Novel Allosteric Mek Inhibitors Possessing Classical and Non-Classical Bidentate SER212 Interactions. also contains other interesting chemical elements:

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

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Discovery of Novel Allosteric Mek Inhibitors Possessing Classical and Non-Classical Bidentate SER212 Interactions. (pdb code 3v04). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Discovery of Novel Allosteric Mek Inhibitors Possessing Classical and Non-Classical Bidentate SER212 Interactions., PDB code: 3v04:

Fluorine binding site 1 out of 1 in 3v04

Go back to Fluorine Binding Sites List in 3v04
Fluorine binding site 1 out of 1 in the Discovery of Novel Allosteric Mek Inhibitors Possessing Classical and Non-Classical Bidentate SER212 Interactions.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Discovery of Novel Allosteric Mek Inhibitors Possessing Classical and Non-Classical Bidentate SER212 Interactions. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:65.0
occ:1.00
F1 A:V04501 0.0 65.0 1.0
C13 A:V04501 1.3 64.6 1.0
C12 A:V04501 2.3 62.5 1.0
C8 A:V04501 2.4 63.6 1.0
N3 A:V04501 2.7 62.9 1.0
OD1 A:ASP208 3.2 70.4 1.0
O1 A:V04501 3.4 67.6 1.0
CD A:LYS97 3.5 66.3 1.0
CD1 A:ILE141 3.6 62.0 1.0
C11 A:V04501 3.6 62.4 1.0
C9 A:V04501 3.6 62.2 1.0
CG2 A:ILE141 3.7 59.4 1.0
CE A:MET143 3.9 63.2 1.0
CB A:ILE141 4.0 60.5 1.0
C4 A:V04501 4.0 62.7 1.0
C10 A:V04501 4.1 62.0 1.0
NZ A:LYS97 4.2 65.4 1.0
CE A:LYS97 4.3 67.4 1.0
SD A:MET143 4.3 61.7 1.0
C14 A:V04501 4.3 64.9 1.0
CG A:ASP208 4.4 67.3 1.0
CG A:LYS97 4.4 66.1 1.0
CG1 A:ILE141 4.4 62.1 1.0
CB A:LYS97 4.5 64.3 1.0
C1 A:V04501 4.7 63.3 1.0
CA A:ASP208 4.7 61.4 1.0
N A:ASP208 4.7 58.5 1.0

Reference:

R.A.Heald, P.Jackson, P.Savy, M.Jones, E.Gancia, B.Burton, R.Newman, J.Boggs, E.Chan, J.Chan, E.Choo, M.Merchant, P.Rudewicz, M.Ultsch, C.Wiesmann, Q.Yue, M.Belvin, S.Price. Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (Mek) 1,2 Inhibitors Possessing Bidentate SER212 Interactions. J.Med.Chem. V. 55 4594 2012.
ISSN: ISSN 0022-2623
PubMed: 22506516
DOI: 10.1021/JM2017094
Page generated: Sun Dec 13 11:56:47 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy