Magnesium in PDB 3kk8: Camkii Substrate Complex A

The structure of Camkii Substrate Complex A, PDB code: 3kk8 was solved by J.Kuriyan, L.H.Chao, P.Pellicena, S.Deindl, L.A.Barclay, H.Schulman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.68 / 1.72
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.361, 79.361, 175.420, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 21.6

The binding sites of Magnesium atom in the Camkii Substrate Complex A (pdb code 3kk8). 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 Camkii Substrate Complex A, PDB code: 3kk8:

Magnesium binding site 1 out of 1 in the Camkii Substrate Complex A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Camkii Substrate Complex A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg290 b:62.7 occ:1.00 O A:HOH350 2.4 42.0 1.0 OD1 A:ASN140 2.5 25.6 1.0 O A:HOH503 2.7 53.0 1.0 O A:HOH512 3.4 57.1 1.0 CG A:ASN140 3.6 30.1 1.0 OD2 A:ASP156 3.6 62.7 1.0 ND2 A:ASN140 4.0 23.8 1.0 O A:GLU139 4.2 27.4 1.0 CB A:GLU139 4.3 28.8 1.0 C A:GLU139 4.5 24.1 1.0 CG A:ASP156 4.6 54.4 1.0 CE A:LYS137 4.6 23.0 1.0 CB A:ASP156 4.7 30.7 1.0 CB A:ASN140 4.8 23.7 1.0 N A:ASN140 4.8 19.6 1.0 CA A:ASN140 4.8 20.4 1.0 O A:HOH372 4.9 41.2 1.0

L.H.Chao, P.Pellicena, S.Deindl, L.A.Barclay, H.Schulman, J.Kuriyan. Intersubunit Capture of Regulatory Segments Is A Component of Cooperative Camkii Activation. Nat.Struct.Mol.Biol. V. 17 264 2010.
ISSN: ISSN 1545-9993
PubMed: 20139983
DOI: 10.1038/NSMB.1751