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Chlorine in PDB 3bpr: Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52

Enzymatic activity of Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52

All present enzymatic activity of Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52, PDB code: 3bpr was solved by J.R.Walker, X.Huang, P.J.Finerty Jr, J.Weigelt, C.H.Arrowsmith, A.M.Edwards, A.Bochkarev, S.Dhe-Paganon, Structural Genomics Consortium(Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.30 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 70.001, 91.702, 120.745, 90.00, 94.06, 90.00
R / Rfree (%) 27.4 / 30.1

Other elements in 3bpr:

The structure of Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52 also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52 (pdb code 3bpr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52, PDB code: 3bpr:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3bpr

Go back to Chlorine Binding Sites List in 3bpr
Chlorine binding site 1 out of 6 in the Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52


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 Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl133

b:43.1
occ:1.00
N C:LYS820 3.3 45.3 1.0
CD C:PRO802 3.6 45.7 1.0
CD2 C:LEU819 3.7 42.8 1.0
CA C:LEU819 3.7 44.4 1.0
CA C:TYR801 3.8 46.8 1.0
CG C:LYS820 3.9 49.3 1.0
C C:LEU819 4.0 44.8 1.0
N C:TYR801 4.0 46.0 1.0
CB C:LYS820 4.0 48.4 1.0
CD C:LYS820 4.2 51.8 1.0
CA C:LYS820 4.3 47.1 1.0
CG C:PRO802 4.3 47.1 1.0
N C:PRO802 4.3 47.0 1.0
CZ2 C:TRP791 4.3 44.1 1.0
CB C:LEU819 4.3 42.2 1.0
O C:ARG818 4.4 48.8 1.0
CD2 C:TYR801 4.5 46.8 1.0
C C:TYR801 4.5 48.2 1.0
CG C:LEU819 4.6 42.2 1.0
CB C:TYR801 4.7 46.6 1.0
N C:LEU819 4.8 45.8 1.0
CE C:LYS820 4.9 53.6 1.0
CG C:TYR801 4.9 46.5 1.0
CE2 C:TRP791 5.0 43.0 1.0
OH C:TYR812 5.0 50.4 1.0
CH2 C:TRP791 5.0 44.1 1.0

Chlorine binding site 2 out of 6 in 3bpr

Go back to Chlorine Binding Sites List in 3bpr
Chlorine binding site 2 out of 6 in the Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52


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 Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl134

b:32.3
occ:1.00
N D:LYS820 3.0 42.4 1.0
CG D:LYS820 3.7 46.3 1.0
CB D:LYS820 3.7 45.6 1.0
CA D:LEU819 3.7 41.2 1.0
CD D:PRO802 3.7 42.9 1.0
CD2 D:LEU819 3.8 39.9 1.0
C D:LEU819 3.9 41.8 1.0
CD D:LYS820 3.9 48.6 1.0
CA D:LYS820 4.0 44.3 1.0
CA D:TYR801 4.1 43.6 1.0
CZ2 D:TRP791 4.2 41.5 1.0
N D:TYR801 4.3 43.0 1.0
CB D:LEU819 4.3 39.3 1.0
CG D:PRO802 4.4 44.3 1.0
O D:ARG818 4.4 45.5 1.0
N D:PRO802 4.6 44.0 1.0
CG D:LEU819 4.7 39.0 1.0
O D:LYS820 4.7 42.9 1.0
CE D:LYS820 4.8 50.5 1.0
CE2 D:TRP791 4.8 40.5 1.0
CD2 D:TYR801 4.8 43.4 1.0
N D:LEU819 4.8 42.2 1.0
C D:LYS820 4.8 44.4 1.0
C D:TYR801 4.9 45.3 1.0
NE1 D:TRP791 4.9 40.8 1.0
CH2 D:TRP791 4.9 41.5 1.0

Chlorine binding site 3 out of 6 in 3bpr

Go back to Chlorine Binding Sites List in 3bpr
Chlorine binding site 3 out of 6 in the Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52


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 Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl900

b:57.6
occ:1.00
CL A:OLP900 0.0 57.6 1.0
CAQ A:OLP900 1.7 49.6 1.0
CAH A:OLP900 2.7 47.9 1.0
CAF A:OLP900 2.7 49.5 1.0
CAR A:OLP900 4.0 49.7 1.0
CAE A:OLP900 4.0 48.8 1.0
CB A:LEU593 4.2 57.0 1.0
O A:LEU593 4.4 64.5 1.0
CAG A:OLP900 4.5 49.6 1.0
CAK A:OLP900 4.5 50.2 1.0
CD2 A:LEU593 4.5 55.7 1.0
CG A:LEU593 4.7 56.5 1.0
CA A:LEU593 4.8 60.5 1.0
CAJ A:OLP900 4.8 54.0 1.0
N1 A:OLP900 4.8 50.9 1.0
CD1 A:LEU593 4.9 54.4 1.0

Chlorine binding site 4 out of 6 in 3bpr

Go back to Chlorine Binding Sites List in 3bpr
Chlorine binding site 4 out of 6 in the Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52


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 Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl900

b:59.2
occ:1.00
CL B:OLP900 0.0 59.2 1.0
CAQ B:OLP900 1.7 56.1 1.0
CAH B:OLP900 2.7 54.0 1.0
CAF B:OLP900 2.7 53.4 1.0
CAR B:OLP900 4.0 57.1 1.0
CAE B:OLP900 4.0 49.9 1.0
O B:LEU593 4.0 65.3 1.0
CB B:LEU593 4.1 58.7 1.0
CAG B:OLP900 4.5 52.1 1.0
CA B:LEU593 4.5 63.0 1.0
CD2 B:LEU593 4.6 59.9 1.0
C B:LEU593 4.8 65.2 1.0
CG B:LEU593 4.8 58.9 1.0
CAK B:OLP900 4.9 56.0 1.0
O B:HOH39 4.9 38.5 1.0
N1 B:OLP900 5.0 57.7 1.0

Chlorine binding site 5 out of 6 in 3bpr

Go back to Chlorine Binding Sites List in 3bpr
Chlorine binding site 5 out of 6 in the Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52


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 Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl900

b:56.1
occ:1.00
CL C:OLP900 0.0 56.1 1.0
CAQ C:OLP900 1.7 53.5 1.0
CAF C:OLP900 2.7 49.6 1.0
CAH C:OLP900 2.7 52.7 1.0
O C:LEU593 3.9 57.8 1.0
CAE C:OLP900 4.0 49.9 1.0
CAR C:OLP900 4.0 52.5 1.0
CB C:LEU593 4.1 51.6 1.0
CA C:LEU593 4.5 55.4 1.0
CAG C:OLP900 4.5 47.5 1.0
CD2 C:LEU593 4.6 51.9 1.0
C C:LEU593 4.7 57.8 1.0
CG C:LEU593 4.8 51.8 1.0
N1 C:OLP900 4.9 52.1 1.0
CAK C:OLP900 5.0 55.9 1.0
OAC C:OLP900 5.0 59.1 1.0

Chlorine binding site 6 out of 6 in 3bpr

Go back to Chlorine Binding Sites List in 3bpr
Chlorine binding site 6 out of 6 in the Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Inhibitor C52 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl900

b:51.3
occ:1.00
CL D:OLP900 0.0 51.3 1.0
CAQ D:OLP900 1.7 44.5 1.0
CAH D:OLP900 2.6 44.1 1.0
CAF D:OLP900 2.6 48.8 1.0
CAR D:OLP900 3.9 50.2 1.0
CAE D:OLP900 3.9 49.2 1.0
CB D:LEU593 4.2 58.0 1.0
O D:LEU593 4.3 65.0 1.0
CAG D:OLP900 4.4 50.1 1.0
OAC D:OLP900 4.6 62.3 1.0
CD2 D:LEU593 4.6 58.6 1.0
CAK D:OLP900 4.7 59.0 1.0
N1 D:OLP900 4.8 56.2 1.0
CA D:LEU593 4.8 62.1 1.0
CG D:LEU593 4.8 58.2 1.0
CD1 D:LEU593 5.0 55.4 1.0

Reference:

X.Huang, P.Finerty, J.R.Walker, C.Butler-Cole, M.Vedadi, M.Schapira, S.A.Parker, B.E.Turk, D.A.Thompson, S.Dhe-Paganon. Structural Insights Into the Inhibited States of the Mer Receptor Tyrosine Kinase. J.Struct.Biol. V. 165 88 2009.
ISSN: ISSN 1047-8477
PubMed: 19028587
DOI: 10.1016/J.JSB.2008.10.003
Page generated: Sat Dec 12 09:33:47 2020

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