Magnesium in PDB 6p8e: Crystal Structure of CDK4 in Complex with CYCLIND1 and P27

All present enzymatic activity of Crystal Structure of CDK4 in Complex with CYCLIND1 and P27:
2.7.11.22;

The structure of Crystal Structure of CDK4 in Complex with CYCLIND1 and P27, PDB code: 6p8e was solved by K.Z.Guiley, J.W.Stevenson, K.Lou, K.J.Barkovich, K.Bunch, S.M.Tripathi, K.M.Shokat, S.M.Rubin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	93.64 / 2.30
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	62.410, 67.490, 187.280, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 22.2

The binding sites of Magnesium atom in the Crystal Structure of CDK4 in Complex with CYCLIND1 and P27 (pdb code 6p8e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of CDK4 in Complex with CYCLIND1 and P27, PDB code: 6p8e:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of CDK4 in Complex with CYCLIND1 and P27


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of CDK4 in Complex with CYCLIND1 and P27 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:50.6 occ:1.00 N B:ASP155 1.9 75.9 1.0 C B:ALA154 2.6 63.9 1.0 N B:ALA154 2.6 51.5 1.0 NE2 B:HIS135 2.8 43.5 1.0 CA B:ALA154 2.8 53.7 1.0 CA B:ASP155 3.0 77.6 1.0 OD1 B:ASP155 3.1 92.4 1.0 C B:ASP155 3.2 71.4 1.0 CB B:ALA154 3.3 48.6 1.0 O B:ASN142 3.4 49.0 1.0 O B:ASP155 3.6 72.7 1.0 O B:ALA154 3.7 70.1 1.0 N B:PHE156 3.7 65.7 1.0 CE1 B:HIS135 3.7 38.8 1.0 C B:LEU153 3.8 42.1 1.0 CD2 B:HIS135 3.8 41.6 1.0 CG B:ASP155 3.8 90.2 1.0 CB B:ASN142 3.9 50.9 1.0 CB B:ASP155 4.0 83.0 1.0 CD2 B:PHE156 4.1 53.7 1.0 CG B:ASN142 4.2 48.0 1.0 OD1 B:ASN142 4.3 45.4 1.0 CA B:LEU153 4.4 35.3 1.0 C B:ASN142 4.4 45.0 1.0 CB B:PHE156 4.6 53.8 1.0 CA B:PHE156 4.6 62.3 1.0 CB B:LEU153 4.6 29.3 1.0 O B:LEU153 4.7 43.8 1.0 CA B:ASN142 4.7 50.0 1.0 CG B:PHE156 4.8 60.0 1.0 OD2 B:ASP155 4.8 93.4 1.0 ND2 B:ASN142 4.9 50.3 1.0 ND1 B:HIS135 4.9 41.6 1.0 CG B:HIS135 4.9 43.4 1.0 CE2 B:PHE156 4.9 56.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of CDK4 in Complex with CYCLIND1 and P27


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of CDK4 in Complex with CYCLIND1 and P27 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:83.3 occ:1.00 CA B:GLY42 3.1 85.3 1.0 N B:GLY42 3.2 92.7 1.0 N B:GLU44 3.3 59.4 1.0 O B:GLY45 3.4 56.5 1.0 C B:GLY42 3.4 77.5 1.0 C B:GLU44 3.7 55.2 1.0 N B:GLY45 3.7 56.8 1.0 CA B:GLU44 3.7 61.1 1.0 CB B:GLU44 3.8 52.1 1.0 N B:GLU43 3.8 69.3 1.0 O B:GLY42 3.8 73.3 1.0 O B:HOH533 4.2 39.0 1.0 O B:GLU44 4.3 53.2 1.0 C B:GLY45 4.3 51.4 1.0 C B:GLU43 4.4 66.4 1.0 C B:ASN41 4.5 100.0 1.0 CA B:GLY45 4.6 51.3 1.0 O B:PRO40 4.7 0.3 1.0 CA B:GLU43 4.7 68.7 1.0 CG B:GLU44 4.7 54.5 1.0

K.Z.Guiley, J.W.Stevenson, K.Lou, K.J.Barkovich, V.Kumarasamy, T.U.Wijeratne, K.L.Bunch, S.Tripathi, E.S.Knudsen, A.K.Witkiewicz, K.M.Shokat, S.M.Rubin. P27 Allosterically Activates Cyclin-Dependent Kinase 4 and Antagonizes Palbociclib Inhibition. Science V. 366 2019.
ISSN: ESSN 1095-9203
PubMed: 31831640
DOI: 10.1126/SCIENCE.AAW2106