Bromine 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:

Fluorine

(F)

2 atoms

The binding sites of Bromine 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 Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure Analysis of Human CDK2 and CCNA2 Complex, PDB code: 7mkx:
Jump to Bromine binding site number: 1; 2;

Bromine 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 Bromine with other atoms in the Br 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:Br301 b:123.9 occ:1.00 BR1 A:ZGY301 0.0 123.9 1.0 C11 A:ZGY301 1.9 96.8 1.0 H10 A:ZGY301 2.6 122.9 1.0 C10 A:ZGY301 2.8 94.9 1.0 C12 A:ZGY301 2.9 98.3 1.0 CD2 A:PHE80 2.9 87.4 1.0 H9 A:ZGY301 2.9 114.7 1.0 N5 A:ZGY301 3.1 101.7 1.0 CE2 A:PHE80 3.7 94.6 1.0 CG A:PHE80 3.8 78.8 1.0 CB A:PHE80 3.8 79.7 1.0 O2 A:ZGY301 4.0 105.3 1.0 N4 A:ZGY301 4.1 89.9 1.0 N7 A:ZGY301 4.1 95.8 1.0 CG1 A:VAL64 4.2 81.8 1.0 CB A:ALA31 4.5 93.5 1.0 C13 A:ZGY301 4.5 100.7 1.0 C9 A:ZGY301 4.6 91.8 1.0 C15 A:ZGY301 4.7 104.5 1.0 CD2 A:LEU134 4.8 93.0 1.0 O A:GLU81 4.9 85.4 1.0 CG2 A:VAL64 4.9 80.7 1.0 CB A:ALA144 4.9 80.7 1.0 CZ A:PHE80 5.0 77.8 1.0

Bromine 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 Bromine with other atoms in the Br 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:Br301 b:367.9 occ:1.00 BR1 C:ZGY301 0.0 367.9 1.0 C11 C:ZGY301 1.9 103.7 1.0 H10 C:ZGY301 2.7 132.9 1.0 C10 C:ZGY301 2.9 106.9 1.0 C12 C:ZGY301 2.9 105.2 1.0 H9 C:ZGY301 2.9 129.1 1.0 N5 C:ZGY301 3.2 110.1 1.0 CG C:PHE80 3.5 77.6 1.0 CB C:PHE80 3.5 77.6 1.0 CD1 C:PHE80 3.5 77.7 1.0 O2 C:ZGY301 3.9 105.2 1.0 N4 C:ZGY301 4.1 95.7 1.0 N7 C:ZGY301 4.1 88.2 1.0 CD2 C:PHE80 4.1 77.6 1.0 CE1 C:PHE80 4.3 77.7 1.0 CD1 C:LEU134 4.5 85.9 1.0 C13 C:ZGY301 4.6 94.0 1.0 CB C:ALA31 4.6 77.8 1.0 C9 C:ZGY301 4.6 85.9 1.0 C15 C:ZGY301 4.7 95.8 1.0 O C:GLU81 4.7 79.8 1.0 CG1 C:VAL64 4.8 82.6 1.0 CE2 C:PHE80 4.8 77.7 1.0 CZ C:PHE80 4.8 77.7 1.0 CB C:ALA144 4.9 78.4 1.0 CB C:VAL64 4.9 78.0 1.0 CG2 C:VAL64 4.9 83.3 1.0 CA C:PHE80 5.0 77.5 1.0

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