Atomistry » Chlorine » PDB 3t4u-3th2 » 3tcp
Atomistry »
  Chlorine »
    PDB 3t4u-3th2 »
      3tcp »

Chlorine in PDB 3tcp: Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC569

Enzymatic activity of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC569

All present enzymatic activity of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC569:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC569, PDB code: 3tcp was solved by J.Liu, C.Yang, C.Simpson, D.Deryckere, A.Van Deusen, M.Miley, D.B.Kireev, J.Norris-Drouin, S.Sather, D.Hunter, H.S.Patel, W.P.Janzen, M.Machius, G.Johnson, H.S.Earp, D.K.Graham, S.Frye, X.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.02 / 2.69
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.158, 91.142, 68.356, 90.00, 100.35, 90.00
R / Rfree (%) 22.5 / 29.8

Other elements in 3tcp:

The structure of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC569 also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Calcium (Ca) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC569 (pdb code 3tcp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC569, PDB code: 3tcp:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3tcp

Go back to Chlorine Binding Sites List in 3tcp
Chlorine binding site 1 out of 3 in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC569


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC569 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl865

b:49.8
occ:1.00
 N A:LYS820 3.1 42.5 1.0
CG A:LYS820 3.5 47.0 1.0
CB A:LYS820 3.6 45.3 1.0
CD A:PRO802 3.8 44.0 1.0
CD1 B:LEU688 3.9 69.5 1.0
CA A:LYS820 3.9 43.7 1.0
CA A:LEU819 4.0 41.3 1.0
C A:LEU819 4.0 41.6 1.0
CD2 A:LEU819 4.2 42.6 1.0
CG A:PRO802 4.2 45.7 1.0
CD A:LYS820 4.3 50.6 1.0
CD2 B:LEU688 4.3 72.8 1.0
CZ2 A:TRP791 4.3 45.6 1.0
CA A:TYR801 4.3 43.3 1.0
N A:TYR801 4.5 41.3 1.0
O A:LYS820 4.6 43.0 1.0
CB A:LEU819 4.7 40.7 1.0
O A:ARG818 4.7 44.5 1.0
N A:PRO802 4.7 44.8 1.0
C A:LYS820 4.7 43.3 1.0
CG B:LEU688 4.8 69.1 1.0
CD1 A:TYR801 4.8 45.0 1.0
CE A:LYS820 4.8 52.6 1.0
CE2 A:TRP791 4.9 43.6 1.0
CG A:LEU819 5.0 41.6 1.0

Chlorine binding site 2 out of 3 in 3tcp

Go back to Chlorine Binding Sites List in 3tcp
Chlorine binding site 2 out of 3 in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC569


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC569 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl865

b:57.4
occ:1.00
 O B:HOH66 3.0 32.2 1.0
NH2 B:ARG687 3.3 66.8 1.0
NH1 B:ARG687 3.5 70.1 1.0
CA A:MET798 3.8 39.0 1.0
CZ B:ARG687 3.8 67.2 1.0
CG A:MET798 3.9 43.0 1.0
NH2 A:ARG687 3.9 62.1 1.0
CA B:MET798 3.9 41.2 1.0
CG B:MET798 4.0 44.0 1.0
O B:GLY797 4.1 42.4 1.0
O A:GLY797 4.1 38.7 1.0
N A:MET798 4.1 39.0 1.0
N B:MET798 4.2 41.3 1.0
NH1 A:ARG687 4.2 66.5 1.0
C A:GLY797 4.3 38.9 1.0
C B:GLY797 4.3 41.9 1.0
CB A:MET798 4.4 39.8 1.0
CD2 B:LEU684 4.5 39.6 1.0
CZ A:ARG687 4.5 64.8 1.0
CB B:MET798 4.6 41.3 1.0
CD2 A:LEU684 4.9 42.5 1.0
C A:MET798 4.9 37.6 1.0
N A:THR799 4.9 38.0 1.0

Chlorine binding site 3 out of 3 in 3tcp

Go back to Chlorine Binding Sites List in 3tcp
Chlorine binding site 3 out of 3 in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC569


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC569 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl3

b:50.3
occ:1.00
 N B:LYS820 3.3 41.1 1.0
CD B:PRO802 3.7 41.5 1.0
CA B:LEU819 3.9 39.9 1.0
CB B:LYS820 4.0 44.4 1.0
CD2 B:LEU819 4.1 41.8 1.0
CA B:TYR801 4.1 41.8 1.0
CD B:LYS820 4.1 49.8 1.0
C B:LEU819 4.1 40.2 1.0
CG B:LYS820 4.2 46.2 1.0
CA B:LYS820 4.2 42.1 1.0
CG B:PRO802 4.3 42.4 1.0
N B:TYR801 4.3 40.7 1.0
CZ2 B:TRP791 4.3 42.8 1.0
CD1 A:LEU688 4.3 66.6 1.0
N B:PRO802 4.5 42.3 1.0
CD2 A:LEU688 4.6 69.8 1.0
CB B:LEU819 4.6 39.6 1.0
O B:ARG818 4.8 42.0 1.0
CE B:LYS820 4.8 50.9 1.0
C B:TYR801 4.8 42.6 1.0
N B:LEU819 4.9 40.0 1.0
CE2 B:TRP791 4.9 42.2 1.0
CG B:LEU819 4.9 40.5 1.0
O B:LYS820 4.9 42.2 1.0
CD1 B:TYR801 4.9 41.1 1.0
CH2 B:TRP791 5.0 43.2 1.0

Reference:

J.Liu, C.Yang, C.Simpson, D.Deryckere, A.Van Deusen, M.J.Miley, D.Kireev, J.Norris-Drouin, S.Sather, D.Hunter, V.K.Korboukh, H.S.Patel, W.P.Janzen, M.Machius, G.L.Johnson, H.S.Earp, D.K.Graham, S.V.Frye, X.Wang. Discovery of Novel Small Molecule Mer Kinase Inhibitors For the Treatment of Pediatric Acute Lymphoblastic Leukemia. Acs Med Chem Lett V. 3 129 2012.
ISSN: ISSN 1948-5875
PubMed: 22662287
Page generated: Sat Dec 12 10:11:48 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