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Bromine in PDB 1ydt: Structure of Camp-Dependent Protein Kinase, Alpha-Catalytic Subunit in Complex with H89 Protein Kinase Inhibitor N-[2- (4-Bromocinnamylamino)Ethyl]-5-Isoquinoline

Enzymatic activity of Structure of Camp-Dependent Protein Kinase, Alpha-Catalytic Subunit in Complex with H89 Protein Kinase Inhibitor N-[2- (4-Bromocinnamylamino)Ethyl]-5-Isoquinoline

All present enzymatic activity of Structure of Camp-Dependent Protein Kinase, Alpha-Catalytic Subunit in Complex with H89 Protein Kinase Inhibitor N-[2- (4-Bromocinnamylamino)Ethyl]-5-Isoquinoline:
2.7.1.37;

Protein crystallography data

The structure of Structure of Camp-Dependent Protein Kinase, Alpha-Catalytic Subunit in Complex with H89 Protein Kinase Inhibitor N-[2- (4-Bromocinnamylamino)Ethyl]-5-Isoquinoline, PDB code: 1ydt was solved by R.A.Engh, A.Girod, V.Kinzel, R.Huber, D.Bossemeyer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.580, 76.280, 80.580, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / n/a

Bromine Binding Sites:

The binding sites of Bromine atom in the Structure of Camp-Dependent Protein Kinase, Alpha-Catalytic Subunit in Complex with H89 Protein Kinase Inhibitor N-[2- (4-Bromocinnamylamino)Ethyl]-5-Isoquinoline (pdb code 1ydt). 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 Structure of Camp-Dependent Protein Kinase, Alpha-Catalytic Subunit in Complex with H89 Protein Kinase Inhibitor N-[2- (4-Bromocinnamylamino)Ethyl]-5-Isoquinoline, PDB code: 1ydt:

Bromine binding site 1 out of 1 in 1ydt

Go back to Bromine Binding Sites List in 1ydt
Bromine binding site 1 out of 1 in the Structure of Camp-Dependent Protein Kinase, Alpha-Catalytic Subunit in Complex with H89 Protein Kinase Inhibitor N-[2- (4-Bromocinnamylamino)Ethyl]-5-Isoquinoline


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Camp-Dependent Protein Kinase, Alpha-Catalytic Subunit in Complex with H89 Protein Kinase Inhibitor N-[2- (4-Bromocinnamylamino)Ethyl]-5-Isoquinoline within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br351

b:49.8
occ:1.00
 BR4' E:IQB351 0.0 49.8 1.0
C4' E:IQB351 1.9 41.7 1.0
C5B E:IQB351 2.8 39.1 1.0
C3B E:IQB351 2.8 39.3 1.0
N E:GLY55 3.5 29.2 1.0
CA E:GLY55 3.7 28.0 1.0
C E:GLY55 3.8 27.6 1.0
O E:GLY55 3.9 27.8 1.0
CD1 E:LEU74 3.9 21.0 1.0
CD1 E:PHE54 3.9 20.1 1.0
CE E:LYS72 4.1 10.8 1.0
CE1 E:PHE54 4.1 17.3 1.0
C E:PHE54 4.1 29.5 1.0
C6B E:IQB351 4.1 36.5 1.0
C2B E:IQB351 4.1 35.3 1.0
N E:PHE54 4.3 26.3 1.0
CA E:GLY52 4.4 22.6 1.0
N E:ARG56 4.5 26.6 1.0
C E:GLY52 4.6 23.9 1.0
O E:HOH401 4.7 26.0 1.0
C1' E:IQB351 4.7 34.2 1.0
CA E:PHE54 4.7 27.5 1.0
O E:PHE54 4.7 31.1 1.0
CG E:PHE54 4.7 21.5 1.0
O E:GLY52 4.8 25.1 1.0
N E:GLY52 4.8 21.9 1.0
NZ E:LYS72 4.9 12.6 1.0
N E:SER53 5.0 24.4 1.0
CG E:LYS72 5.0 12.2 1.0
O E:ILE73 5.0 20.3 1.0

Reference:

R.A.Engh, A.Girod, V.Kinzel, R.Huber, D.Bossemeyer. Crystal Structures of Catalytic Subunit of Camp-Dependent Protein Kinase in Complex with Isoquinolinesulfonyl Protein Kinase Inhibitors H7, H8, and H89. Structural Implications For Selectivity. J.Biol.Chem. V. 271 26157 1996.
ISSN: ISSN 0021-9258
PubMed: 8824261
DOI: 10.1074/JBC.271.42.26157
Page generated: Wed Jul 10 17:36:45 2024

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