Atomistry » Chlorine » PDB 5jzl-5k92 » 5k0x
Atomistry »
  Chlorine »
    PDB 5jzl-5k92 »
      5k0x »

Chlorine in PDB 5k0x: Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541

Enzymatic activity of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541

All present enzymatic activity of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541:
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 UNC2541, PDB code: 5k0x was solved by A.L.Mciver, W.Zhang, Q.Liu, X.Jiang, M.A.Stashko, J.Nichols, M.J.Miley, J.Norris-Drouin, M.Machius, D.Deryckere, E.Wood, D.K.Graham, H.S.Earp, D.Kireev, S.V.Frye, X.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.86 / 2.23
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.671, 91.599, 69.769, 90.00, 102.37, 90.00
R / Rfree (%) 18.5 / 23.9

Other elements in 5k0x:

The structure of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541 also contains other interesting chemical elements:

Fluorine (F) 2 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 UNC2541 (pdb code 5k0x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 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 UNC2541, PDB code: 5k0x:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5k0x

Go back to Chlorine Binding Sites List in 5k0x
Chlorine binding site 1 out of 5 in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541


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 UNC2541 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl901

b:51.6
occ:1.00
 HH22 A:ARG584 1.7 63.9 1.0
H A:LEU589 2.5 51.5 1.0
NH2 A:ARG584 2.6 53.3 1.0
HA A:ILE588 2.9 45.1 1.0
HH21 A:ARG584 3.0 63.9 1.0
HH12 A:ARG584 3.1 66.0 1.0
HB2 A:LEU589 3.2 56.1 1.0
N A:LEU589 3.3 43.0 1.0
CZ A:ARG584 3.5 54.5 1.0
HD12 A:LEU589 3.5 73.5 1.0
NH1 A:ARG584 3.6 55.0 1.0
HG A:LEU589 3.7 69.7 1.0
CA A:ILE588 3.8 37.6 1.0
O A:LEU587 3.9 36.1 1.0
CB A:LEU589 3.9 46.7 1.0
C A:ILE588 4.0 37.9 1.0
HG23 A:ILE588 4.0 60.6 1.0
CG A:LEU589 4.1 58.1 1.0
CA A:LEU589 4.2 37.1 1.0
CD1 A:LEU589 4.3 61.3 1.0
HG13 A:ILE588 4.4 53.8 1.0
HH11 A:ARG584 4.5 66.0 1.0
O A:LEU589 4.6 35.1 1.0
C A:LEU587 4.6 39.8 1.0
N A:ILE588 4.7 38.9 1.0
CG2 A:ILE588 4.8 50.5 1.0
CB A:ILE588 4.8 40.5 1.0
NE A:ARG584 4.8 51.4 1.0
HD11 A:LEU589 4.8 73.5 1.0
HB3 A:LEU589 4.8 56.1 1.0
C A:LEU589 4.9 37.9 1.0
HG22 A:ILE588 4.9 60.6 1.0
HA A:LEU589 5.0 44.5 1.0
HD13 A:LEU589 5.0 73.5 1.0
HE A:ARG584 5.0 61.7 1.0

Chlorine binding site 2 out of 5 in 5k0x

Go back to Chlorine Binding Sites List in 5k0x
Chlorine binding site 2 out of 5 in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541


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 UNC2541 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl902

b:25.6
occ:1.00
 H A:LYS820 2.4 22.7 1.0
HD2 A:PRO802 2.6 36.3 1.0
HA A:TYR801 2.9 35.6 1.0
HD2 A:LYS820 3.0 75.0 1.0
HD23 A:LEU819 3.1 24.8 1.0
HA A:LEU819 3.1 28.2 1.0
O A:HOH1006 3.1 26.7 1.0
O A:HOH1026 3.1 24.4 1.0
HB2 A:LYS820 3.1 35.7 1.0
N A:LYS820 3.2 18.9 1.0
HG3 A:LYS820 3.5 51.8 1.0
CD A:PRO802 3.5 30.3 1.0
HZ2 A:TRP791 3.6 20.0 1.0
H A:TYR801 3.6 29.1 1.0
HD13 B:LEU688 3.7 50.5 1.0
HD22 A:LEU819 3.7 24.8 1.0
CB A:LYS820 3.8 29.7 1.0
CD A:LYS820 3.8 62.5 1.0
CA A:TYR801 3.8 29.7 1.0
CD2 A:LEU819 3.8 20.7 1.0
CG A:LYS820 3.9 43.2 1.0
HD11 B:LEU688 3.9 50.5 1.0
CA A:LEU819 3.9 23.5 1.0
HD3 A:PRO802 3.9 36.3 1.0
HG2 A:PRO802 4.0 39.3 1.0
C A:LEU819 4.1 21.5 1.0
CA A:LYS820 4.1 30.9 1.0
HD1 A:TYR801 4.1 32.6 1.0
CZ2 A:TRP791 4.1 16.7 1.0
N A:TYR801 4.2 24.3 1.0
HB3 A:LEU819 4.2 26.9 1.0
CG A:PRO802 4.2 32.8 1.0
CD1 B:LEU688 4.2 42.1 1.0
HD22 B:LEU688 4.3 38.3 1.0
HZ2 A:LYS820 4.4 50.6 1.0
N A:PRO802 4.4 18.7 1.0
HE3 A:LYS820 4.4 68.9 1.0
HD21 B:LEU688 4.5 38.3 1.0
CB A:LEU819 4.5 22.4 1.0
HD21 A:LEU819 4.5 24.8 1.0
HD3 A:LYS820 4.5 75.0 1.0
HH A:TYR812 4.5 34.3 1.0
HG3 A:PRO802 4.5 39.3 1.0
C A:TYR801 4.6 23.9 1.0
CD1 A:TYR801 4.6 27.2 1.0
CE A:LYS820 4.6 57.4 1.0
HE1 A:TRP791 4.6 23.0 1.0
HB3 A:LYS820 4.7 35.7 1.0
O A:ARG818 4.7 23.3 1.0
HH2 A:TRP791 4.7 22.7 1.0
CG A:LEU819 4.7 21.9 1.0
CE2 A:TRP791 4.8 16.7 1.0
CH2 A:TRP791 4.8 18.9 1.0
CB A:TYR801 4.8 21.8 1.0
CD2 B:LEU688 4.8 31.9 1.0
O A:LYS820 4.8 28.6 1.0
HG2 A:LYS820 4.8 51.8 1.0
HA A:LYS820 4.8 37.1 1.0
HB3 A:TYR801 4.9 26.2 1.0
HD12 B:LEU688 4.9 50.5 1.0
C A:LYS820 4.9 28.8 1.0
NE1 A:TRP791 4.9 19.1 1.0
CG A:TYR801 5.0 21.9 1.0
NZ A:LYS820 5.0 42.2 1.0

Chlorine binding site 3 out of 5 in 5k0x

Go back to Chlorine Binding Sites List in 5k0x
Chlorine binding site 3 out of 5 in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541


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 UNC2541 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl903

b:34.0
occ:1.00
 HH22 A:ARG687 2.6 40.0 1.0
HA B:MET798 2.8 24.8 1.0
HH22 B:ARG687 2.9 44.1 0.2
HA A:MET798 2.9 16.1 1.0
O B:HOH1036 2.9 22.0 1.0
HG2 B:MET798 3.1 43.2 1.0
HG2 A:MET798 3.1 39.0 1.0
O A:HOH1040 3.3 22.6 1.0
NH2 A:ARG687 3.5 33.3 1.0
CA B:MET798 3.7 20.6 1.0
NH2 B:ARG687 3.7 36.7 0.2
HH22 B:ARG687 3.7 55.6 0.8
HG3 B:MET798 3.8 43.2 1.0
CG B:MET798 3.8 36.0 1.0
CA A:MET798 3.8 13.4 1.0
HH12 A:ARG687 3.8 55.2 1.0
CG A:MET798 3.9 32.5 1.0
HH21 A:ARG687 3.9 40.0 1.0
HG3 A:MET798 4.0 39.0 1.0
HH21 B:ARG687 4.0 55.6 0.8
O B:GLY797 4.0 20.5 1.0
HH21 B:ARG687 4.0 44.1 0.2
N B:MET798 4.1 15.3 1.0
O A:GLY797 4.2 19.8 1.0
NH2 B:ARG687 4.2 46.3 0.8
HD21 B:LEU684 4.2 24.7 1.0
N A:MET798 4.2 17.8 1.0
C B:GLY797 4.2 23.8 1.0
H B:THR799 4.2 17.1 1.0
HH12 B:ARG687 4.3 49.9 0.2
CB B:MET798 4.3 23.3 1.0
HD22 B:LEU684 4.3 24.7 1.0
H A:THR799 4.3 18.3 1.0
HD22 A:LEU684 4.3 21.2 1.0
CB A:MET798 4.3 25.4 1.0
C A:GLY797 4.4 19.7 1.0
CZ A:ARG687 4.4 53.3 1.0
HD21 A:LEU684 4.4 21.2 1.0
NH1 A:ARG687 4.4 46.0 1.0
O B:HOH1015 4.5 31.9 1.0
H B:MET798 4.5 18.4 1.0
CD2 B:LEU684 4.6 20.6 1.0
HB3 B:MET798 4.6 27.9 1.0
HB3 A:MET798 4.6 30.4 1.0
HD23 B:LEU684 4.6 24.7 1.0
H A:MET798 4.7 21.3 1.0
CD2 A:LEU684 4.7 17.7 1.0
CZ B:ARG687 4.7 45.1 0.2
C B:MET798 4.8 18.8 1.0
HD23 A:LEU684 4.8 21.2 1.0
N B:THR799 4.8 14.3 1.0
NH1 B:ARG687 4.9 41.6 0.2
N A:THR799 4.9 15.3 1.0
C A:MET798 4.9 24.9 1.0

Chlorine binding site 4 out of 5 in 5k0x

Go back to Chlorine Binding Sites List in 5k0x
Chlorine binding site 4 out of 5 in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl901

b:24.3
occ:1.00
 H B:LYS820 2.5 27.9 1.0
HD2 B:PRO802 2.7 28.3 1.0
HA B:LEU819 2.9 34.2 1.0
O B:HOH1016 2.9 30.1 1.0
HA B:TYR801 3.0 30.7 1.0
HD23 B:LEU819 3.1 27.7 1.0
O B:HOH1027 3.1 29.6 1.0
HD2 B:LYS820 3.3 53.8 1.0
N B:LYS820 3.3 23.3 1.0
HG3 B:LYS820 3.3 43.0 1.0
H B:TYR801 3.4 21.9 1.0
HB2 B:LYS820 3.4 32.6 1.0
HZ2 B:TRP791 3.5 25.3 1.0
CD B:PRO802 3.6 23.6 1.0
CA B:LEU819 3.7 28.5 1.0
HD13 A:LEU688 3.8 51.7 1.0
CA B:TYR801 3.9 25.6 1.0
CG B:LYS820 3.9 35.8 1.0
CD2 B:LEU819 3.9 23.1 1.0
HD22 B:LEU819 4.0 27.7 1.0
CD B:LYS820 4.0 44.8 1.0
CB B:LYS820 4.0 27.1 1.0
HD1 B:TYR801 4.0 26.7 1.0
N B:TYR801 4.0 18.3 1.0
HD11 A:LEU688 4.0 51.7 1.0
HD3 B:PRO802 4.0 28.3 1.0
CZ2 B:TRP791 4.0 21.1 1.0
C B:LEU819 4.1 25.9 1.0
HG2 B:PRO802 4.1 30.8 1.0
HB3 B:LEU819 4.2 28.8 1.0
HD22 A:LEU688 4.2 38.1 1.0
CA B:LYS820 4.2 20.9 1.0
HE3 B:LYS820 4.4 61.7 1.0
CG B:PRO802 4.4 25.7 1.0
CD1 A:LEU688 4.4 43.0 1.0
CB B:LEU819 4.4 24.0 1.0
HD21 A:LEU688 4.4 38.1 1.0
N B:PRO802 4.5 18.4 1.0
CD1 B:TYR801 4.5 22.3 1.0
HZ2 B:LYS820 4.6 52.5 1.0
HD21 B:LEU819 4.6 27.7 1.0
HE1 B:TRP791 4.6 29.4 1.0
HG3 B:PRO802 4.6 30.8 1.0
HH2 B:TRP791 4.7 27.8 1.0
C B:TYR801 4.7 21.0 1.0
CE2 B:TRP791 4.7 21.1 1.0
CH2 B:TRP791 4.7 23.2 1.0
O B:ARG818 4.7 26.3 1.0
CE B:LYS820 4.7 51.4 1.0
CG B:LEU819 4.7 28.7 1.0
HD3 B:LYS820 4.7 53.8 1.0
CD2 A:LEU688 4.7 31.8 1.0
N B:LEU819 4.8 22.8 1.0
HG2 B:LYS820 4.8 43.0 1.0
CB B:TYR801 4.9 19.6 1.0
O B:LYS820 4.9 27.4 1.0
NE1 B:TRP791 4.9 24.5 1.0
HB3 B:LYS820 4.9 32.6 1.0
HG B:LEU819 5.0 34.4 1.0
HA B:LYS820 5.0 25.1 1.0
CG B:TYR801 5.0 21.0 1.0

Chlorine binding site 5 out of 5 in 5k0x

Go back to Chlorine Binding Sites List in 5k0x
Chlorine binding site 5 out of 5 in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl902

b:51.9
occ:1.00
 HH22 B:ARG584 2.0 55.3 1.0
H B:LEU589 2.4 53.2 1.0
HA B:ILE588 2.7 46.5 1.0
NH2 B:ARG584 2.8 46.1 1.0
N B:LEU589 3.2 44.3 1.0
HH21 B:ARG584 3.2 55.3 1.0
HH12 B:ARG584 3.3 65.9 1.0
HB2 B:LEU589 3.5 37.9 1.0
HG B:LEU589 3.6 43.1 1.0
CA B:ILE588 3.6 38.8 1.0
O B:LEU587 3.7 44.6 1.0
CZ B:ARG584 3.8 45.4 1.0
NH1 B:ARG584 3.8 54.9 1.0
C B:ILE588 3.9 27.3 1.0
HD12 B:LEU589 3.9 59.1 1.0
HG23 B:ILE588 4.0 54.1 1.0
CB B:LEU589 4.1 31.6 1.0
CG B:LEU589 4.2 36.0 1.0
CA B:LEU589 4.2 35.2 1.0
HG13 B:ILE588 4.3 59.6 1.0
C B:LEU587 4.4 38.3 1.0
N B:ILE588 4.4 35.0 1.0
CD1 B:LEU589 4.6 49.2 1.0
CB B:ILE588 4.6 37.0 1.0
CG2 B:ILE588 4.6 45.1 1.0
O B:LEU589 4.6 39.7 1.0
HH11 B:ARG584 4.7 65.9 1.0
HG22 B:ILE588 4.8 54.1 1.0
C B:LEU589 4.9 40.8 1.0
CG1 B:ILE588 5.0 49.7 1.0
HA B:LEU589 5.0 42.2 1.0
HD11 B:LEU589 5.0 59.1 1.0
NE B:ARG584 5.0 58.2 1.0

Reference:

A.L.Mciver, W.Zhang, Q.Liu, X.Jiang, M.A.Stashko, J.Nichols, M.J.Miley, J.Norris-Drouin, M.Machius, D.Deryckere, E.Wood, D.K.Graham, H.S.Earp, D.Kireev, S.V.Frye, X.Wang. Discovery of Macrocyclic Pyrimidines As Mertk-Specific Inhibitors. Chemmedchem V. 12 207 2017.
ISSN: ESSN 1860-7187
PubMed: 28032464
DOI: 10.1002/CMDC.201600589
Page generated: Sat Dec 12 11:55:21 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