Atomistry » Magnesium » PDB 5lcf-5lmm » 5lmk
Atomistry »
  Magnesium »
    PDB 5lcf-5lmm »
      5lmk »

Magnesium in PDB 5lmk: Structure of Phopsho-CDK2-Cyclin A in Complex with An Atp-Competitive Inhibitor

Enzymatic activity of Structure of Phopsho-CDK2-Cyclin A in Complex with An Atp-Competitive Inhibitor

All present enzymatic activity of Structure of Phopsho-CDK2-Cyclin A in Complex with An Atp-Competitive Inhibitor:
2.7.11.22;

Protein crystallography data

The structure of Structure of Phopsho-CDK2-Cyclin A in Complex with An Atp-Competitive Inhibitor, PDB code: 5lmk was solved by A.Echalier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 99.94 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.466, 134.395, 149.481, 90.00, 90.00, 90.00
R / Rfree (%) 21.2 / 24.9

Other elements in 5lmk:

The structure of Structure of Phopsho-CDK2-Cyclin A in Complex with An Atp-Competitive Inhibitor also contains other interesting chemical elements:

Bromine (Br) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Phopsho-CDK2-Cyclin A in Complex with An Atp-Competitive Inhibitor (pdb code 5lmk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure of Phopsho-CDK2-Cyclin A in Complex with An Atp-Competitive Inhibitor, PDB code: 5lmk:

Magnesium binding site 1 out of 1 in 5lmk

Go back to Magnesium Binding Sites List in 5lmk
Magnesium binding site 1 out of 1 in the Structure of Phopsho-CDK2-Cyclin A in Complex with An Atp-Competitive Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Phopsho-CDK2-Cyclin A in Complex with An Atp-Competitive Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:48.6
occ:1.00
 O B:GLN203 2.5 41.6 1.0
O B:ILE206 2.7 35.8 1.0
O B:MET200 2.8 42.0 1.0
C B:GLN203 3.7 41.3 1.0
C B:ILE206 3.9 36.2 1.0
C B:MET200 4.0 42.5 1.0
CA B:GLN203 4.5 40.4 1.0
CB B:GLN203 4.5 39.0 1.0
CG B:MET200 4.5 38.5 1.0
CG2 B:THR207 4.5 33.7 1.0
CA B:THR207 4.6 34.6 1.0
N B:GLN203 4.6 41.0 1.0
N B:THR207 4.6 35.1 1.0
C B:PRO204 4.7 41.4 1.0
N B:PRO204 4.7 41.6 1.0
O B:PRO204 4.7 42.0 1.0
N B:ILE206 4.7 38.7 1.0
CA B:PRO204 4.8 41.6 1.0
N B:LYS201 4.9 44.9 1.0
CA B:LYS201 4.9 47.4 1.0
CA B:ILE206 4.9 36.9 1.0
CA B:MET200 4.9 40.2 1.0
C B:LYS201 4.9 47.7 1.0
O B:LYS201 5.0 50.3 1.0
O B:HOH657 5.0 23.2 1.0

Reference:

M.Hylsova, B.Carbain, J.Fanfrlik, L.Musilova, S.Haldar, C.Kopruluoglu, H.Ajani, P.S.Brahmkshatriya, R.Jorda, V.Krystof, P.Hobza, A.Echalier, K.Paruch, M.Lepsik. Explicit Treatment of Active-Site Waters Enhances Quantum Mechanical/Implicit Solvent Scoring: Inhibition of CDK2 By New Pyrazolo[1,5-A]Pyrimidines. Eur J Med Chem V. 126 1118 2016.
ISSN: ISSN 1768-3254
PubMed: 28039837
DOI: 10.1016/J.EJMECH.2016.12.023
Page generated: Sun Sep 29 20:17:03 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy