Manganese in PDB 7n7j: Crystal Structure of PI5P4KIIALPHA Complex with Amppnp

All present enzymatic activity of Crystal Structure of PI5P4KIIALPHA Complex with Amppnp:
2.7.1.149;

The structure of Crystal Structure of PI5P4KIIALPHA Complex with Amppnp, PDB code: 7n7j was solved by S.Chen, Y.Ha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.10
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	136.074, 136.074, 95.141, 90, 90, 120
R / Rfree (%)	21.3 / 25.1

The binding sites of Manganese atom in the Crystal Structure of PI5P4KIIALPHA Complex with Amppnp (pdb code 7n7j). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of PI5P4KIIALPHA Complex with Amppnp, PDB code: 7n7j:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of PI5P4KIIALPHA Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of PI5P4KIIALPHA Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:55.4 occ:1.00 O A:HOH601 1.9 38.5 1.0 O1A A:ANP503 2.0 45.8 1.0 O A:HOH654 2.1 42.4 1.0 O1G A:ANP503 2.3 60.1 1.0 OD2 A:ASP359 2.4 44.9 1.0 O A:HOH724 2.7 65.3 1.0 CG A:ASP359 3.2 45.1 1.0 PG A:ANP503 3.4 62.0 1.0 N3B A:ANP503 3.4 56.4 1.0 PA A:ANP503 3.4 48.8 1.0 CB A:ASP359 3.5 43.5 1.0 O2G A:ANP503 3.9 62.0 1.0 MN A:MN502 4.0 56.2 1.0 O2B A:ANP503 4.0 49.2 1.0 O3A A:ANP503 4.1 52.5 1.0 PB A:ANP503 4.1 54.4 1.0 OD1 A:ASP359 4.3 47.7 1.0 O2A A:ANP503 4.3 50.9 1.0 O A:ASP273 4.3 55.0 1.0 OG A:SER275 4.4 48.5 1.0 O5' A:ANP503 4.5 53.4 1.0 O A:HOH614 4.6 44.6 1.0 OD2 A:ASP211 4.7 54.5 1.0 O3G A:ANP503 4.7 68.3 1.0 CD1 A:ILE358 4.9 39.3 1.0 NZ A:LYS213 4.9 62.1 1.0 C5' A:ANP503 5.0 52.0 1.0 CE A:LYS213 5.0 54.2 1.0 CA A:ASP359 5.0 39.2 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of PI5P4KIIALPHA Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of PI5P4KIIALPHA Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn502 b:56.2 occ:1.00 O A:HOH614 2.1 44.6 1.0 O A:HOH736 2.1 41.8 1.0 O2G A:ANP503 2.2 62.0 1.0 O2B A:ANP503 2.2 49.2 1.0 OD2 A:ASP359 2.4 44.9 1.0 OD1 A:ASP359 2.5 47.7 1.0 CG A:ASP359 2.8 45.1 1.0 PG A:ANP503 3.3 62.0 1.0 PB A:ANP503 3.4 54.4 1.0 N3B A:ANP503 3.8 56.4 1.0 O1G A:ANP503 3.8 60.1 1.0 NZ A:LYS145 3.9 42.2 1.0 MN A:MN501 4.0 55.4 1.0 O A:HOH661 4.0 46.7 1.0 O A:HOH601 4.1 38.5 1.0 CB A:ASP359 4.3 43.5 1.0 OG1 A:THR362 4.4 59.5 1.0 O A:HOH621 4.4 47.7 1.0 O1B A:ANP503 4.4 56.3 1.0 O A:HOH623 4.5 38.5 1.0 O1A A:ANP503 4.5 45.8 1.0 O3A A:ANP503 4.5 52.5 1.0 O3G A:ANP503 4.6 68.3 1.0 O2A A:ANP503 4.8 50.9 1.0 PA A:ANP503 4.8 48.8 1.0

S.Chen, C.Chandra Tjin, X.Gao, Y.Xue, H.Jiao, R.Zhang, M.Wu, Z.He, J.Ellman, Y.Ha. Pharmacological Inhibition of PI5P4KALPHA/Beta Disrupts Cell Energy Metabolism and Selectively Kills P53-Null Tumor Cells. Proc Natl Acad Sci U S A V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 34001596
DOI: 10.1073/PNAS.2002486118