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Bromine in PDB 7baq: Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24)

Enzymatic activity of Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24)

All present enzymatic activity of Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24):
2.7.11.11;

Protein crystallography data

The structure of Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24), PDB code: 7baq 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) 33.14 / 1.54
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.22, 73.334, 77.388, 90, 90, 90
R / Rfree (%) 17.6 / 22

Other elements in 7baq:

The structure of Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24) also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24) (pdb code 7baq). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24), PDB code: 7baq:

Bromine binding site 1 out of 1 in 7baq

Go back to Bromine Binding Sites List in 7baq
Bromine binding site 1 out of 1 in the Crystal Structure of the Camp-Dependent Protein Kinase A Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24)


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 Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:29.1
occ:1.00
BR A:T82401 0.0 29.1 1.0
C14 A:T82401 1.9 24.5 1.0
HZ A:PHE327 2.8 34.5 1.0
C16 A:T82401 2.8 23.6 1.0
C12 A:T82401 2.8 23.7 1.0
O13 A:T82401 3.0 23.7 1.0
HD1 A:TYR122 3.2 30.3 1.0
CZ A:PHE327 3.3 28.8 1.0
HE1 A:TYR122 3.3 31.5 1.0
HE1 A:PHE327 3.3 34.2 1.0
H A:VAL123 3.4 28.5 1.0
HD13 A:LEU173 3.4 36.8 1.0
HD13 A:LEU49 3.4 36.1 1.0
HB2 A:ALA70 3.5 26.3 1.0
CE1 A:PHE327 3.6 28.5 1.0
HD12 A:LEU49 3.7 36.1 1.0
HD11 A:LEU173 3.7 36.8 1.0
CD1 A:TYR122 3.8 25.2 1.0
O A:VAL123 3.9 27.2 1.0
CE1 A:TYR122 3.9 26.2 1.0
CD1 A:LEU49 4.0 30.1 1.0
CD1 A:LEU173 4.0 30.7 1.0
HB A:VAL123 4.0 36.5 1.0
HB1 A:ALA70 4.0 26.3 1.0
C11 A:T82401 4.1 22.4 1.0
C09 A:T82401 4.2 22.6 1.0
N A:VAL123 4.2 23.7 1.0
CB A:ALA70 4.2 21.9 1.0
CE2 A:PHE327 4.3 30.0 1.0
HA A:TYR122 4.3 28.5 1.0
HD11 A:LEU49 4.4 36.1 1.0
O A:HOH642 4.4 38.9 1.0
HD22 A:LEU173 4.4 38.3 1.0
HD21 A:LEU173 4.5 38.3 1.0
HG11 A:VAL57 4.5 30.1 1.0
HE2 A:PHE327 4.5 36.0 1.0
HB3 A:ALA70 4.6 26.3 1.0
HD12 A:LEU173 4.6 36.8 1.0
C A:VAL123 4.6 28.4 1.0
C10 A:T82401 4.6 22.4 1.0
CD1 A:PHE327 4.7 29.0 1.0
CA A:VAL123 4.8 27.5 1.0
CB A:VAL123 4.8 30.4 1.0
HB3 A:LEU49 4.8 35.7 1.0
HG12 A:VAL57 4.8 30.1 1.0
CD2 A:LEU173 4.8 31.9 1.0
HG23 A:VAL123 4.9 36.7 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 Cocrystallized with A Chiral Ligand (S- and E-Configuration) and Pki (5-24) To Be Published.
Page generated: Mon Jul 7 11:02:07 2025

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