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Fluorine in PDB 6c0t: Crystal Structure of Cgmp-Dependent Protein Kinase Ialpha (Pkg Ialpha) Catalytic Domain Bound with N46

Enzymatic activity of Crystal Structure of Cgmp-Dependent Protein Kinase Ialpha (Pkg Ialpha) Catalytic Domain Bound with N46

All present enzymatic activity of Crystal Structure of Cgmp-Dependent Protein Kinase Ialpha (Pkg Ialpha) Catalytic Domain Bound with N46:
2.7.11.12;

Protein crystallography data

The structure of Crystal Structure of Cgmp-Dependent Protein Kinase Ialpha (Pkg Ialpha) Catalytic Domain Bound with N46, PDB code: 6c0t was solved by L.Qin, B.Sankaran, C.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.87 / 1.98
Space group P 42
Cell size a, b, c (Å), α, β, γ (°) 85.730, 85.730, 50.664, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 24.4

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Cgmp-Dependent Protein Kinase Ialpha (Pkg Ialpha) Catalytic Domain Bound with N46 (pdb code 6c0t). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Cgmp-Dependent Protein Kinase Ialpha (Pkg Ialpha) Catalytic Domain Bound with N46, PDB code: 6c0t:

Fluorine binding site 1 out of 1 in 6c0t

Go back to Fluorine Binding Sites List in 6c0t
Fluorine binding site 1 out of 1 in the Crystal Structure of Cgmp-Dependent Protein Kinase Ialpha (Pkg Ialpha) Catalytic Domain Bound with N46


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Cgmp-Dependent Protein Kinase Ialpha (Pkg Ialpha) Catalytic Domain Bound with N46 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:50.9
occ:1.00
 F36 A:EE4701 0.0 50.9 1.0
C35 A:EE4701 1.4 51.4 1.0
C06 A:EE4701 2.3 52.5 1.0
C37 A:EE4701 2.4 51.7 1.0
C07 A:EE4701 2.7 51.9 1.0
O38 A:EE4701 2.8 51.4 1.0
O A:DMS702 3.0 99.1 1.0
O A:HOH801 3.1 73.4 1.0
C09 A:EE4701 3.2 50.8 1.0
CE1 A:PHE371 3.2 60.8 1.0
CZ A:PHE371 3.4 61.3 1.0
O08 A:EE4701 3.5 52.5 1.0
C05 A:EE4701 3.6 54.1 1.0
C40 A:EE4701 3.6 52.6 1.0
C10 A:EE4701 3.7 50.6 1.0
C14 A:EE4701 3.9 50.1 1.0
CD1 A:LEU392 4.1 44.9 1.0
CD1 A:ILE406 4.1 41.4 1.0
CD2 A:LEU392 4.1 45.8 1.0
C41 A:EE4701 4.1 54.0 1.0
CD1 A:PHE371 4.2 60.9 1.0
C39 A:EE4701 4.2 51.9 1.0
NZ A:LYS390 4.4 49.4 1.0
S A:DMS702 4.4 98.8 1.0
CE A:LYS390 4.4 50.3 1.0
CE2 A:PHE371 4.5 62.5 1.0
CG A:LEU392 4.7 45.4 1.0
C11 A:EE4701 4.7 50.0 1.0
O04 A:EE4701 4.9 55.8 1.0
C1 A:DMS702 4.9 100.0 1.0
C13 A:EE4701 4.9 49.7 1.0

Reference:

L.Qin, B.Sankaran, S.Aminzai, D.E.Casteel, C.Kim. Structural Basis For Selective Inhibition of Human Pkg I Alpha By the Balanol-Like Compound N46. J. Biol. Chem. V. 293 10985 2018.
ISSN: ESSN 1083-351X
PubMed: 29769318
DOI: 10.1074/JBC.RA118.002427
Page generated: Thu Aug 1 18:28:38 2024

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