Magnesium in PDB 2cn5: Crystal Structure of Human CHK2 in Complex with Adp

All present enzymatic activity of Crystal Structure of Human CHK2 in Complex with Adp:
2.7.11.1;

The structure of Crystal Structure of Human CHK2 in Complex with Adp, PDB code: 2cn5 was solved by A.W.Oliver, L.H.Pearl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.83 / 2.25
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.865, 90.865, 92.910, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / 24

The structure of Crystal Structure of Human CHK2 in Complex with Adp also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Human CHK2 in Complex with Adp (pdb code 2cn5). 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 Human CHK2 in Complex with Adp, PDB code: 2cn5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human CHK2 in Complex with Adp


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 Human CHK2 in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1506 b:40.0 occ:1.00 O A:HOH2079 2.0 37.2 1.0 O A:HOH2078 2.0 39.4 1.0 O1A A:ADP1509 2.1 40.7 1.0 ND2 A:ASN352 2.1 36.6 1.0 OD2 A:ASP368 2.2 44.5 1.0 O3B A:ADP1509 2.2 45.3 1.0 CG A:ASP368 3.2 42.9 1.0 CG A:ASN352 3.2 41.1 1.0 PB A:ADP1509 3.4 46.4 1.0 PA A:ADP1509 3.4 38.8 1.0 OD1 A:ASN352 3.5 42.9 1.0 CB A:ASP368 3.6 40.8 1.0 O3A A:ADP1509 3.7 44.9 1.0 OE2 A:GLU351 3.8 52.4 1.0 O1B A:ADP1509 4.0 44.0 1.0 O A:HOH2019 4.0 43.1 1.0 O A:HOH2092 4.1 52.1 1.0 O A:HOH2154 4.1 45.1 1.0 OD1 A:ASP368 4.3 44.0 1.0 CD A:GLU351 4.3 47.3 1.0 O2A A:ADP1509 4.4 37.5 1.0 O A:HOH2018 4.4 47.2 1.0 O5' A:ADP1509 4.4 43.1 1.0 O A:GLU351 4.4 39.7 1.0 CB A:ASN352 4.5 41.6 1.0 CG A:GLU351 4.5 44.8 1.0 C5' A:ADP1509 4.5 42.4 1.0 O2B A:ADP1509 4.6 49.5 1.0 O3' A:ADP1509 4.7 43.5 1.0 C A:GLU351 4.8 40.8 1.0 CA A:ASN352 4.8 41.8 1.0 OD2 A:ASP347 4.8 44.0 1.0 N A:ASN352 4.9 41.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human CHK2 in Complex with Adp


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 Human CHK2 in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1507 b:56.1 occ:1.00 O A:HOH2094 2.1 39.8 1.0 OE1 A:GLU273 2.5 51.8 1.0 CD A:GLU273 3.7 48.4 1.0 CA A:ASP368 3.9 41.1 1.0 CD1 A:LEU277 3.9 51.8 1.0 NZ A:LYS249 3.9 42.6 1.0 N A:PHE369 4.0 41.0 1.0 N A:ASP368 4.0 40.9 1.0 O A:HOH2152 4.2 38.3 1.0 CD A:LYS249 4.3 39.2 1.0 O2A A:ADP1509 4.5 37.5 1.0 C A:ASP368 4.5 41.2 1.0 CG A:GLU273 4.5 45.9 1.0 OE2 A:GLU273 4.5 49.7 1.0 CD1 A:LEU301 4.7 37.6 1.0 CE A:LYS249 4.7 38.5 1.0 O A:HOH2026 4.8 52.7 1.0 CD1 A:ILE299 4.8 42.6 1.0 CD2 A:LEU277 4.8 50.8 1.0 CD2 A:LEU301 4.8 33.9 1.0 CG A:LEU277 4.9 50.7 1.0 CA A:PHE369 5.0 40.6 1.0

A.W.Oliver, A.Paul, K.J.Boxall, S.E.Barrie, G.W.Aherne, M.D.Garrett, S.Mittnacht, L.H.Pearl. Trans-Activation of the Dna-Damage Signalling Protein Kinase CHK2 By T-Loop Exchange Embo J. V. 25 3179 2006.
ISSN: ISSN 0261-4189
PubMed: 16794575
DOI: 10.1038/SJ.EMBOJ.7601209