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Bromine in PDB 7bar: Crystal Structure of the Camp-Dependent Protein Kinase A with A Chiral Ligand (S- and E-Configuration, Soaked)

Enzymatic activity of Crystal Structure of the Camp-Dependent Protein Kinase A with A Chiral Ligand (S- and E-Configuration, Soaked)

All present enzymatic activity of Crystal Structure of the Camp-Dependent Protein Kinase A with A Chiral Ligand (S- and E-Configuration, Soaked):
2.7.11.11;

Protein crystallography data

The structure of Crystal Structure of the Camp-Dependent Protein Kinase A with A Chiral Ligand (S- and E-Configuration, Soaked), PDB code: 7bar was solved by M.Oebbeke, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.22 / 1.37
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.781, 71.775, 97.325, 90, 90, 90
R / Rfree (%) 15.2 / 17.9

Other elements in 7bar:

The structure of Crystal Structure of the Camp-Dependent Protein Kinase A with A Chiral Ligand (S- and E-Configuration, Soaked) also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the Camp-Dependent Protein Kinase A with A Chiral Ligand (S- and E-Configuration, Soaked) (pdb code 7bar). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of the Camp-Dependent Protein Kinase A with A Chiral Ligand (S- and E-Configuration, Soaked), PDB code: 7bar:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 7bar

Go back to Bromine Binding Sites List in 7bar
Bromine binding site 1 out of 2 in the Crystal Structure of the Camp-Dependent Protein Kinase A with A Chiral Ligand (S- and E-Configuration, Soaked)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Camp-Dependent Protein Kinase A with A Chiral Ligand (S- and E-Configuration, Soaked) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:23.6
occ:0.41
BR A:T82401 0.0 23.6 0.4
BR A:T82401 0.2 15.8 0.6
C14 A:T82401 1.8 14.7 0.6
C14 A:T82401 1.9 18.3 0.4
C16 A:T82401 2.7 15.8 0.6
C12 A:T82401 2.8 13.5 0.6
C16 A:T82401 2.8 16.6 0.4
C12 A:T82401 2.8 16.1 0.4
HZ A:PHE327 2.9 21.9 1.0
O13 A:T82401 3.0 15.6 0.4
O13 A:T82401 3.0 13.3 0.6
HD1 A:TYR122 3.1 17.7 1.0
HD13 A:LEU49 3.1 24.0 1.0
HE1 A:TYR122 3.2 17.0 1.0
H A:VAL123 3.3 15.2 1.0
CZ A:PHE327 3.4 18.3 1.0
HE1 A:PHE327 3.4 22.0 1.0
HD13 A:LEU173 3.5 24.4 1.0
HB2 A:ALA70 3.6 15.6 1.0
CE1 A:PHE327 3.6 18.3 1.0
CD1 A:TYR122 3.7 14.7 1.0
CE1 A:TYR122 3.7 14.1 1.0
HD21 A:LEU173 3.9 26.9 1.0
HD22 A:LEU173 3.9 26.9 1.0
HD11 A:LEU173 3.9 24.4 1.0
O A:VAL123 3.9 14.1 1.0
CD1 A:LEU49 4.0 20.0 1.0
C09 A:T82401 4.0 17.2 0.6
C11 A:T82401 4.1 14.0 0.6
C09 A:T82401 4.1 15.9 0.4
C11 A:T82401 4.1 14.8 0.4
CD1 A:LEU173 4.2 20.4 1.0
N A:VAL123 4.2 12.6 1.0
HA A:TYR122 4.2 16.9 1.0
HD12 A:LEU49 4.2 24.0 1.0
HB A:VAL123 4.2 18.0 1.0
HB1 A:ALA70 4.2 15.6 1.0
CE2 A:PHE327 4.3 17.2 1.0
CB A:ALA70 4.3 13.0 1.0
CD2 A:LEU173 4.3 22.4 1.0
HD11 A:LEU49 4.3 24.0 1.0
O A:HOH642 4.5 23.6 1.0
HE2 A:PHE327 4.5 20.7 1.0
C10 A:T82401 4.6 16.6 0.6
HB3 A:ALA70 4.6 15.6 1.0
C10 A:T82401 4.6 16.4 0.4
HB3 A:LEU49 4.7 20.4 1.0
C A:VAL123 4.7 14.5 1.0
CD1 A:PHE327 4.7 17.6 1.0
CA A:VAL123 4.8 13.7 1.0
O A:HOH509 4.9 26.3 1.0
CG A:LEU173 4.9 18.4 1.0
HG11 A:VAL57 4.9 18.6 1.0
CB A:VAL123 4.9 15.0 1.0
HD12 A:LEU173 4.9 24.4 1.0
CG A:TYR122 4.9 14.2 1.0
CZ A:TYR122 5.0 15.3 1.0
HG23 A:VAL123 5.0 19.4 1.0
CA A:TYR122 5.0 14.1 1.0

Bromine binding site 2 out of 2 in 7bar

Go back to Bromine Binding Sites List in 7bar
Bromine binding site 2 out of 2 in the Crystal Structure of the Camp-Dependent Protein Kinase A with A Chiral Ligand (S- and E-Configuration, Soaked)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Camp-Dependent Protein Kinase A with A Chiral Ligand (S- and E-Configuration, Soaked) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:15.8
occ:0.59
BR A:T82401 0.0 15.8 0.6
BR A:T82401 0.2 23.6 0.4
C14 A:T82401 1.9 14.7 0.6
C14 A:T82401 2.0 18.3 0.4
HZ A:PHE327 2.8 21.9 1.0
C16 A:T82401 2.8 15.8 0.6
C12 A:T82401 2.9 13.5 0.6
C12 A:T82401 2.9 16.1 0.4
C16 A:T82401 3.0 16.6 0.4
O13 A:T82401 3.0 13.3 0.6
O13 A:T82401 3.0 15.6 0.4
HD1 A:TYR122 3.1 17.7 1.0
HE1 A:TYR122 3.2 17.0 1.0
H A:VAL123 3.2 15.2 1.0
CZ A:PHE327 3.3 18.3 1.0
HD13 A:LEU49 3.3 24.0 1.0
HD13 A:LEU173 3.4 24.4 1.0
HE1 A:PHE327 3.4 22.0 1.0
CE1 A:PHE327 3.6 18.3 1.0
CD1 A:TYR122 3.7 14.7 1.0
CE1 A:TYR122 3.7 14.1 1.0
HB2 A:ALA70 3.7 15.6 1.0
O A:VAL123 3.7 14.1 1.0
HD22 A:LEU173 3.8 26.9 1.0
HD21 A:LEU173 3.8 26.9 1.0
HD11 A:LEU173 3.9 24.4 1.0
HB A:VAL123 4.0 18.0 1.0
N A:VAL123 4.0 12.6 1.0
CD1 A:LEU173 4.1 20.4 1.0
HA A:TYR122 4.1 16.9 1.0
CD1 A:LEU49 4.1 20.0 1.0
C11 A:T82401 4.2 14.0 0.6
C09 A:T82401 4.2 17.2 0.6
CE2 A:PHE327 4.2 17.2 1.0
C11 A:T82401 4.2 14.8 0.4
CD2 A:LEU173 4.2 22.4 1.0
C09 A:T82401 4.3 15.9 0.4
HD12 A:LEU49 4.3 24.0 1.0
HB1 A:ALA70 4.4 15.6 1.0
HE2 A:PHE327 4.4 20.7 1.0
CB A:ALA70 4.4 13.0 1.0
HD11 A:LEU49 4.4 24.0 1.0
C A:VAL123 4.5 14.5 1.0
O A:HOH642 4.6 23.6 1.0
CA A:VAL123 4.7 13.7 1.0
C10 A:T82401 4.7 16.6 0.6
CD1 A:PHE327 4.7 17.6 1.0
HB3 A:ALA70 4.7 15.6 1.0
CB A:VAL123 4.7 15.0 1.0
C10 A:T82401 4.7 16.4 0.4
CG A:LEU173 4.8 18.4 1.0
HB3 A:LEU49 4.8 20.4 1.0
HD12 A:LEU173 4.8 24.4 1.0
HG23 A:VAL123 4.8 19.4 1.0
CG A:TYR122 4.9 14.2 1.0
CZ A:TYR122 4.9 15.3 1.0
CA A:TYR122 4.9 14.1 1.0
O A:HOH509 4.9 26.3 1.0
C A:TYR122 5.0 15.3 1.0

Reference:

M.Oebbeke, H.Koester, S.Brass, H.-D.Gerber, A.Heine, G.Klebe. Crystal Structure of the Camp-Dependent Protein Kinase A with A Chiral Ligand (S- and E-Configuration, Soaked) To Be Published.
Page generated: Thu Jul 11 03:33:29 2024

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