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Chlorine in PDB 5n1n: Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule 2-Chloro-9-Propan-2-Ylpurine

Enzymatic activity of Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule 2-Chloro-9-Propan-2-Ylpurine

All present enzymatic activity of Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule 2-Chloro-9-Propan-2-Ylpurine:
2.7.11.11;

Protein crystallography data

The structure of Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule 2-Chloro-9-Propan-2-Ylpurine, PDB code: 5n1n was solved by C.Siefker, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.45 / 1.41
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.252, 72.515, 108.531, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 17.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule 2-Chloro-9-Propan-2-Ylpurine (pdb code 5n1n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule 2-Chloro-9-Propan-2-Ylpurine, PDB code: 5n1n:

Chlorine binding site 1 out of 1 in 5n1n

Go back to Chlorine Binding Sites List in 5n1n
Chlorine binding site 1 out of 1 in the Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule 2-Chloro-9-Propan-2-Ylpurine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Camp-Dependent Protein Kinase A From Cricetulus Griseus in Complex with Fragment Like Molecule 2-Chloro-9-Propan-2-Ylpurine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:42.1
occ:0.72
 CL A:8G8402 0.0 42.1 0.7
C6 A:8G8402 1.7 40.2 0.7
N2 A:8G8402 2.6 39.7 0.7
N3 A:8G8402 2.6 41.1 0.7
HB3 A:HIS131 2.9 21.1 1.0
HE1 A:PHE138 3.1 20.2 1.0
O A:HOH590 3.4 27.4 0.5
HE1 A:HIS142 3.4 24.1 1.0
HG21 A:ILE135 3.4 29.4 1.0
HD12 A:ILE135 3.5 38.5 1.0
HB A:ILE135 3.6 27.6 1.0
CE2 A:PHE314 3.7 40.4 1.0
C5 A:8G8402 3.8 40.8 0.7
HD13 A:ILE135 3.8 38.5 1.0
HE2 A:PHE314 3.8 48.5 1.0
C7 A:8G8402 3.8 41.4 0.7
CB A:HIS131 3.8 17.6 1.0
CZ A:PHE314 3.9 40.8 1.0
CE1 A:PHE138 3.9 16.9 1.0
O A:HIS131 4.0 17.1 1.0
HZ A:PHE314 4.0 49.0 1.0
CG2 A:ILE135 4.0 24.5 1.0
HG22 A:ILE135 4.0 29.4 1.0
CD1 A:ILE135 4.1 32.1 1.0
CD2 A:PHE314 4.2 39.1 1.0
O A:HOH590 4.2 21.3 0.5
CB A:ILE135 4.2 23.0 1.0
CE1 A:HIS142 4.2 20.1 1.0
HB2 A:HIS131 4.3 21.1 1.0
C A:HIS131 4.3 15.6 1.0
HD1 A:PHE138 4.4 20.3 1.0
C4 A:8G8402 4.4 41.9 0.7
CE1 A:PHE314 4.4 39.5 1.0
HA A:HIS131 4.5 19.0 1.0
CA A:HIS131 4.5 15.9 1.0
CD1 A:PHE138 4.5 16.9 1.0
CG A:HIS131 4.5 18.8 1.0
HD2 A:PHE314 4.6 46.9 1.0
ND1 A:HIS131 4.6 22.0 1.0
H8 A:8G8402 4.6 49.7 0.7
HZ A:PHE138 4.7 18.9 1.0
CG A:PHE314 4.7 37.6 1.0
CZ A:PHE138 4.7 15.8 1.0
CD1 A:PHE314 4.8 39.4 1.0
CG1 A:ILE135 4.8 27.3 1.0
HE1 A:PHE314 4.8 47.3 1.0
HD11 A:ILE135 4.9 38.5 1.0
HG23 A:ILE135 4.9 29.4 1.0
NE2 A:HIS142 4.9 20.2 1.0
H3 A:8G8402 5.0 49.9 0.7
N A:8G8402 5.0 42.0 0.7

Reference:

C.Siefker, A.Heine, G.Klebe. A Crystallographic Fragment Study with Camp-Dependent Protein Kinase A To Be Published.
Page generated: Sat Dec 12 12:08:16 2020

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