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

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

All present enzymatic activity of Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Adp:
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 Adp, PDB code: 3brb 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) 25.05 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 53.385, 89.880, 69.537, 90.00, 103.09, 90.00
R / Rfree (%) 19.2 / 24

Other elements in 3brb:

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

Magnesium (Mg) 2 atoms

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 Adp (pdb code 3brb). 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 Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Adp, PDB code: 3brb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 3brb

Go back to Chlorine Binding Sites List in 3brb
Chlorine binding site 1 out of 5 in the Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Adp


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 Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl4

b:42.1
occ:1.00
 NH2 B:ARG687 2.9 24.3 0.5
O A:HOH211 3.0 32.9 1.0
O B:HOH195 3.1 33.4 1.0
NH2 A:ARG687 3.2 27.1 0.5
CA A:MET798 3.7 34.1 1.0
CG B:MET798 3.7 41.7 1.0
CA B:MET798 3.8 35.3 1.0
CG A:MET798 3.8 39.1 1.0
NH1 A:ARG687 3.9 31.4 0.5
CZ B:ARG687 3.9 38.7 0.5
CZ A:ARG687 4.0 37.1 0.5
NH1 B:ARG687 4.1 39.8 0.5
N A:MET798 4.2 31.6 1.0
O A:GLY797 4.2 34.0 1.0
N B:MET798 4.2 29.9 1.0
O B:GLY797 4.2 31.5 1.0
CB A:MET798 4.3 33.2 1.0
O A:HOH16 4.3 40.8 1.0
CB B:MET798 4.3 29.4 1.0
O B:HOH41 4.3 44.1 1.0
C A:GLY797 4.4 32.8 1.0
C B:GLY797 4.4 30.9 1.0
CD2 A:LEU684 4.5 35.0 1.0
CD2 B:LEU684 4.5 32.6 1.0
NH1 B:ARG687 4.6 39.3 0.5
C A:MET798 4.8 29.6 1.0
N A:THR799 4.8 30.1 1.0
C B:MET798 4.9 30.6 1.0
N B:THR799 4.9 34.3 1.0

Chlorine binding site 2 out of 5 in 3brb

Go back to Chlorine Binding Sites List in 3brb
Chlorine binding site 2 out of 5 in the Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Adp


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 Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5

b:37.7
occ:1.00
 O A:HOH37 3.0 45.8 1.0
O A:HOH194 3.2 38.2 1.0
N A:LYS820 3.4 36.6 1.0
CD A:LYS820 3.5 44.5 1.0
CA A:TYR801 3.8 33.9 1.0
CD A:PRO802 3.8 34.6 1.0
CD2 A:LEU819 3.8 32.3 1.0
CA A:LEU819 3.8 37.4 1.0
CD1 B:LEU688 3.8 42.9 1.0
CG A:LYS820 3.9 44.6 1.0
CB A:LYS820 4.1 40.3 1.0
N A:TYR801 4.1 32.4 1.0
C A:LEU819 4.1 37.5 1.0
CZ2 A:TRP791 4.2 32.5 1.0
CE A:LYS820 4.3 47.9 1.0
CG A:PRO802 4.4 37.8 1.0
CA A:LYS820 4.4 38.9 1.0
CD1 A:TYR801 4.4 32.5 1.0
N A:PRO802 4.5 34.5 1.0
CB A:LEU819 4.5 37.4 1.0
C A:TYR801 4.6 35.0 1.0
CB A:TYR801 4.7 31.6 1.0
O A:ARG818 4.7 39.2 1.0
CG A:LEU819 4.7 33.9 1.0
CE2 A:TRP791 4.8 30.4 1.0
NZ A:LYS820 4.8 50.1 1.0
CH2 A:TRP791 4.8 29.6 1.0
CG A:TYR801 4.8 33.1 1.0
N A:LEU819 4.9 37.4 1.0
NE1 A:TRP791 5.0 33.5 1.0

Chlorine binding site 3 out of 5 in 3brb

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


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 Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl6

b:58.0
occ:1.00
 NH2 B:ARG584 3.1 62.0 1.0
N B:LEU589 3.2 45.5 1.0
NH1 B:ARG584 3.7 56.5 1.0
CA B:ILE588 3.9 48.0 1.0
CZ B:ARG584 3.9 60.0 1.0
CB B:LEU589 3.9 47.4 1.0
C B:ILE588 4.0 45.4 1.0
CG B:LEU589 4.0 48.5 1.0
O B:LEU587 4.0 47.4 1.0
CA B:LEU589 4.1 46.1 1.0
O B:HOH139 4.3 63.0 1.0
CD1 B:LEU589 4.5 50.3 1.0
O B:LEU589 4.5 46.4 1.0
CG2 B:ILE588 4.6 55.5 1.0
C B:LEU587 4.8 47.4 1.0
N B:ILE588 4.8 47.2 1.0
CB B:ILE588 4.8 51.0 1.0
C B:LEU589 4.8 44.5 1.0

Chlorine binding site 4 out of 5 in 3brb

Go back to Chlorine Binding Sites List in 3brb
Chlorine binding site 4 out of 5 in the Crystal Structure of Catalytic Domain of the Proto-Oncogene Tyrosine- Protein Kinase Mer in Complex with Adp


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 Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl7

b:38.8
occ:1.00
 O B:HOH39 3.1 44.5 1.0
O B:HOH222 3.1 42.5 1.0
N B:LYS820 3.4 39.0 1.0
CD2 B:LEU819 3.8 32.4 1.0
CA B:TYR801 3.8 35.5 1.0
CD B:PRO802 3.8 34.9 1.0
CA B:LEU819 3.8 38.1 1.0
CD B:LYS820 3.8 48.6 1.0
CD1 A:LEU688 4.0 41.9 1.0
CG B:LYS820 4.0 44.7 1.0
N B:TYR801 4.1 33.9 1.0
CB B:LYS820 4.1 41.3 1.0
C B:LEU819 4.1 39.4 1.0
CZ2 B:TRP791 4.2 33.1 1.0
CE B:LYS820 4.3 53.1 1.0
CA B:LYS820 4.4 40.4 1.0
CG B:PRO802 4.4 38.0 1.0
N B:PRO802 4.5 33.6 1.0
CB B:LEU819 4.5 36.0 1.0
CD2 B:TYR801 4.5 33.1 1.0
C B:TYR801 4.6 33.9 1.0
NZ B:LYS820 4.7 53.9 1.0
CG B:LEU819 4.7 31.1 1.0
O B:ARG818 4.7 39.1 1.0
CB B:TYR801 4.7 35.1 1.0
CH2 B:TRP791 4.8 33.7 1.0
N B:LEU819 4.9 36.7 1.0
CE2 B:TRP791 4.9 30.4 1.0
CG B:TYR801 4.9 34.2 1.0

Chlorine binding site 5 out of 5 in 3brb

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


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 Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl8

b:48.1
occ:1.00
 NH1 B:ARG732 3.0 41.1 1.0
N B:ARG651 3.2 39.2 1.0
NH2 B:ARG732 3.2 40.8 1.0
CZ B:ARG732 3.5 48.2 1.0
CG B:PRO672 3.7 35.0 1.0
CB B:ARG651 3.8 46.5 1.0
CA B:ILE650 4.0 34.0 1.0
CA B:ARG651 4.1 42.8 1.0
C B:ILE650 4.1 39.6 1.0
CG1 B:ILE650 4.1 34.5 1.0
O B:VAL649 4.3 32.6 1.0
CE B:MET674 4.3 49.4 1.0
O B:ARG651 4.5 46.1 1.0
CD B:PRO672 4.6 31.1 1.0
CB B:PRO672 4.7 34.4 1.0
CB B:ILE650 4.7 34.1 1.0
C B:ARG651 4.8 43.0 1.0
NE B:ARG732 4.9 44.7 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 Jul 20 16:38:54 2024

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