Fluorine in PDB 6c0u: Crystal Structure of Camp-Dependent Protein Kinase Calpha Subunit Bound with N46

All present enzymatic activity of Crystal Structure of Camp-Dependent Protein Kinase Calpha Subunit Bound with N46:
2.7.11.11;

The structure of Crystal Structure of Camp-Dependent Protein Kinase Calpha Subunit Bound with N46, PDB code: 6c0u 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)	43.83 / 2.65
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	120.494, 120.494, 80.810, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 24.3

The binding sites of Fluorine atom in the Crystal Structure of Camp-Dependent Protein Kinase Calpha Subunit Bound with N46 (pdb code 6c0u). 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 Camp-Dependent Protein Kinase Calpha Subunit Bound with N46, PDB code: 6c0u:

Fluorine binding site 1 out of 1 in the Crystal Structure of Camp-Dependent Protein Kinase Calpha Subunit 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 Camp-Dependent Protein Kinase Calpha Subunit Bound with N46 within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:58.4 occ:1.00 F36 A:EE4400 0.0 58.4 1.0 C35 A:EE4400 1.4 54.1 1.0 C06 A:EE4400 2.4 52.8 1.0 C37 A:EE4400 2.4 58.9 1.0 C07 A:EE4400 2.8 50.1 1.0 O38 A:EE4400 2.8 63.5 1.0 C39 A:EE4400 3.0 69.3 1.0 O08 A:EE4400 3.1 50.6 1.0 CD1 A:LEU74 3.5 53.0 1.0 CD2 A:LEU74 3.6 49.5 1.0 C40 A:EE4400 3.7 53.0 1.0 C05 A:EE4400 3.7 52.8 1.0 CD2 A:PHE54 3.7 60.9 1.0 C09 A:EE4400 3.8 49.1 1.0 CE A:LYS72 4.1 52.1 1.0 C41 A:EE4400 4.1 51.5 1.0 CG A:LEU74 4.2 55.5 1.0 NZ A:LYS72 4.3 48.9 1.0 O A:HOH503 4.3 59.7 1.0 C14 A:EE4400 4.4 51.7 1.0 CB A:PHE54 4.5 54.1 1.0 CG2 A:THR88 4.5 55.3 1.0 CE2 A:PHE54 4.5 59.6 1.0 CG A:PHE54 4.5 59.8 1.0 C10 A:EE4400 4.6 53.1 1.0 O04 A:EE4400 4.9 55.0 1.0 OE1 A:GLU91 5.0 56.9 1.0

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