Fluorine in PDB 7mkx: Crystal Structure Analysis of Human CDK2 and CCNA2 Complex

All present enzymatic activity of Crystal Structure Analysis of Human CDK2 and CCNA2 Complex:
2.7.11.22;

The structure of Crystal Structure Analysis of Human CDK2 and CCNA2 Complex, PDB code: 7mkx was solved by H.-S.Seo, S.Dhe-Paganon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.76 / 3.08
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	161.05, 161.52, 65.76, 90, 90, 90
R / Rfree (%)	24.6 / 28.9

The structure of Crystal Structure Analysis of Human CDK2 and CCNA2 Complex also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure Analysis of Human CDK2 and CCNA2 Complex (pdb code 7mkx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure Analysis of Human CDK2 and CCNA2 Complex, PDB code: 7mkx:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure Analysis of Human CDK2 and CCNA2 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure Analysis of Human CDK2 and CCNA2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:110.4 occ:1.00 F1 A:ZGY301 0.0 110.4 1.0 C16 A:ZGY301 1.4 104.8 1.0 C17 A:ZGY301 2.3 107.4 1.0 H11 A:ZGY301 2.4 119.7 1.0 C14 A:ZGY301 2.4 101.7 1.0 H13 A:ZGY301 2.5 129.7 1.0 N6 A:ZGY301 2.7 99.1 1.0 C15 A:ZGY301 2.8 104.5 1.0 H12 A:ZGY301 3.5 119.7 1.0 CA A:GLY13 3.5 111.3 1.0 C18 A:ZGY301 3.6 102.0 1.0 C13 A:ZGY301 3.6 100.7 1.0 O A:GLU12 3.8 115.2 1.0 OD1 A:ASN132 3.8 96.8 1.0 O2 A:ZGY301 3.9 105.3 1.0 O A:GLN131 4.0 105.8 1.0 C19 A:ZGY301 4.1 99.4 1.0 N A:GLY13 4.2 108.9 1.0 C A:GLU12 4.3 109.5 1.0 OD2 A:ASP145 4.3 111.9 1.0 H14 A:ZGY301 4.3 123.2 1.0 C A:GLY13 4.6 112.6 1.0 C A:GLN131 4.8 105.8 1.0 N5 A:ZGY301 4.8 101.7 1.0 N A:THR14 4.9 110.0 1.0 H10 A:ZGY301 5.0 122.9 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure Analysis of Human CDK2 and CCNA2 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure Analysis of Human CDK2 and CCNA2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:96.2 occ:1.00 F1 C:ZGY301 0.0 96.2 1.0 C16 C:ZGY301 1.4 98.1 1.0 C17 C:ZGY301 2.3 99.5 1.0 C14 C:ZGY301 2.4 92.3 1.0 H11 C:ZGY301 2.4 117.9 1.0 H13 C:ZGY301 2.5 120.2 1.0 N6 C:ZGY301 2.8 97.5 1.0 C15 C:ZGY301 2.8 95.8 1.0 CA C:GLY13 3.4 105.2 1.0 H12 C:ZGY301 3.5 117.9 1.0 C18 C:ZGY301 3.6 93.3 1.0 C13 C:ZGY301 3.6 94.0 1.0 OD1 C:ASN132 3.7 81.1 1.0 O C:GLU12 3.8 102.6 1.0 O2 C:ZGY301 3.9 105.2 1.0 N C:GLY13 4.0 101.2 1.0 C19 C:ZGY301 4.1 90.2 1.0 O C:GLN131 4.1 88.1 1.0 C C:GLU12 4.2 93.7 1.0 OD2 C:ASP145 4.2 94.8 1.0 H14 C:ZGY301 4.3 112.8 1.0 C C:GLY13 4.6 106.3 1.0 N5 C:ZGY301 4.8 110.1 1.0 CG C:ASN132 4.9 79.1 1.0 C C:GLN131 4.9 80.9 1.0 H10 C:ZGY301 5.0 132.9 1.0 CG C:ASP145 5.0 89.9 1.0

H.-S.Seo, S.Dhe-Paganon. Crystal Structure Analysis of Human CDK2 and CCNA2 Complex To Be Published.