Magnesium in PDB 7ujp: Cocrystal Structure of Human Camkii-Alpha (CAMK2A)Kinase Domain and GLUN2B

All present enzymatic activity of Cocrystal Structure of Human Camkii-Alpha (CAMK2A)Kinase Domain and GLUN2B:
2.7.11.17;

The structure of Cocrystal Structure of Human Camkii-Alpha (CAMK2A)Kinase Domain and GLUN2B, PDB code: 7ujp was solved by C.Ozden, J.C.Foster, M.M.Stratton, S.C.Garman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.56 / 2.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.143, 91.423, 91.922, 90, 90, 90
R / Rfree (%)	23.2 / 28.1

The binding sites of Magnesium atom in the Cocrystal Structure of Human Camkii-Alpha (CAMK2A)Kinase Domain and GLUN2B (pdb code 7ujp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Cocrystal Structure of Human Camkii-Alpha (CAMK2A)Kinase Domain and GLUN2B, PDB code: 7ujp:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Cocrystal Structure of Human Camkii-Alpha (CAMK2A)Kinase Domain and GLUN2B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cocrystal Structure of Human Camkii-Alpha (CAMK2A)Kinase Domain and GLUN2B within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:46.9 occ:1.00 O2A A:ADP301 1.9 80.7 1.0 OD1 A:ASN140 2.0 32.6 1.0 OD2 A:ASP156 2.6 36.0 1.0 CG A:ASN140 3.2 31.0 1.0 PA A:ADP301 3.4 74.8 1.0 O A:GLU139 3.5 31.0 1.0 CG A:ASP156 3.6 34.3 1.0 CB A:ASP156 3.9 32.1 1.0 ND2 A:ASN140 4.0 29.7 1.0 C A:GLU139 4.0 29.6 1.0 O3B A:ADP301 4.1 81.4 1.0 CA A:ASN140 4.2 29.3 1.0 C5' A:ADP301 4.2 60.7 1.0 O5' A:ADP301 4.2 69.4 1.0 O1A A:ADP301 4.3 73.1 1.0 O3A A:ADP301 4.3 74.2 1.0 CB A:ASN140 4.3 30.0 1.0 C3' A:ADP301 4.3 52.5 1.0 N A:ASN140 4.3 30.1 1.0 CB A:GLU139 4.5 29.2 1.0 C2' A:ADP301 4.6 49.8 1.0 MG C:MG1401 4.7 31.0 1.0 OD1 A:ASP156 4.8 34.5 1.0 C4' A:ADP301 4.9 55.7 1.0 OE1 A:GLU96 4.9 33.4 1.0 PB A:ADP301 4.9 80.5 1.0 CE A:LYS137 4.9 26.3 1.0 CA A:GLU139 5.0 29.5 1.0

Magnesium binding site 2 out of 3 in the Cocrystal Structure of Human Camkii-Alpha (CAMK2A)Kinase Domain and GLUN2B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cocrystal Structure of Human Camkii-Alpha (CAMK2A)Kinase Domain and GLUN2B within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:66.7 occ:1.00 OD2 B:ASP156 2.2 39.8 1.0 O2A B:ATP301 2.6 51.9 1.0 O B:GLU139 2.7 26.7 1.0 OD1 B:ASN140 2.9 27.1 1.0 O2B B:ATP301 3.1 53.5 1.0 CG B:ASP156 3.4 39.0 1.0 OE1 B:GLU96 3.6 31.1 1.0 C B:GLU139 3.6 26.3 1.0 C3' B:ATP301 3.6 44.4 1.0 C2' B:ATP301 3.8 42.1 1.0 C5' B:ATP301 3.8 49.1 1.0 PA B:ATP301 3.9 53.8 1.0 CG B:ASN140 4.0 25.6 1.0 CA B:ASN140 4.1 24.4 1.0 N B:ASN140 4.2 24.9 1.0 O3A B:ATP301 4.2 54.0 1.0 OD1 B:ASP156 4.2 41.1 1.0 PB B:ATP301 4.3 58.2 1.0 C4' B:ATP301 4.3 46.8 1.0 O2' B:ATP301 4.3 40.4 1.0 O5' B:ATP301 4.4 51.2 1.0 CB B:GLU139 4.4 25.9 1.0 CB B:ASP156 4.4 35.6 1.0 CD B:GLU96 4.6 27.5 1.0 CA B:GLU139 4.6 25.8 1.0 CB B:ASN140 4.7 24.6 1.0 O3' B:ATP301 4.8 44.6 1.0 O1G B:ATP301 4.9 59.8 1.0

Magnesium binding site 3 out of 3 in the Cocrystal Structure of Human Camkii-Alpha (CAMK2A)Kinase Domain and GLUN2B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cocrystal Structure of Human Camkii-Alpha (CAMK2A)Kinase Domain and GLUN2B within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1401 b:31.0 occ:1.00 OG C:SER1303 2.9 38.9 1.0 O3A A:ADP301 3.3 74.2 1.0 N C:SER1303 3.6 38.1 1.0 O2B A:ADP301 3.7 79.7 1.0 NZ A:LYS137 3.8 26.3 1.0 O2A A:ADP301 3.9 80.7 1.0 PA A:ADP301 4.0 74.8 1.0 CB C:SER1303 4.0 39.6 1.0 PB A:ADP301 4.1 80.5 1.0 CA C:HIS1302 4.2 39.0 1.0 O1A A:ADP301 4.3 73.1 1.0 C C:HIS1302 4.4 38.0 1.0 CA C:SER1303 4.4 39.7 1.0 O3B A:ADP301 4.6 81.4 1.0 ND1 C:HIS1302 4.6 45.0 1.0 O C:GLN1301 4.7 35.0 1.0 CE A:LYS137 4.7 26.3 1.0 MG A:MG302 4.7 46.9 1.0 OD2 A:ASP156 4.9 36.0 1.0 CB C:HIS1302 4.9 40.7 1.0

C.Ozden, R.Sloutsky, T.Mitsugi, N.Santos, E.Agnello, C.Gaubitz, J.Foster, E.Lapinskas, E.A.Esposito, T.Saneyoshi, B.A.Kelch, S.C.Garman, Y.Hayashi, M.M.Stratton. Camkii Binds Both Substrates and Activators at the Active Site. Cell Rep V. 40 11064 2022.
ISSN: ESSN 2211-1247
PubMed: 35830796
DOI: 10.1016/J.CELREP.2022.111064