Magnesium in PDB 5htk: Human Heart 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (PFKFB2)

All present enzymatic activity of Human Heart 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (PFKFB2):
2.7.1.105; 3.1.3.46;

The structure of Human Heart 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (PFKFB2), PDB code: 5htk was solved by R.B.Crochet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.55 / 2.01
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	106.523, 113.946, 133.154, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 17.5

The binding sites of Magnesium atom in the Human Heart 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (PFKFB2) (pdb code 5htk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Human Heart 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (PFKFB2), PDB code: 5htk:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Human Heart 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (PFKFB2)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Heart 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (PFKFB2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:42.0 occ:1.00 O1A A:ATP602 1.7 43.3 1.0 O1B A:ATP602 2.1 32.4 1.0 O3G A:ATP602 2.2 30.4 1.0 O A:HOH863 2.2 32.3 1.0 OG1 A:THR52 2.3 28.8 1.0 PA A:ATP602 2.5 37.1 1.0 O A:HOH841 2.5 34.5 1.0 PB A:ATP602 2.9 35.9 1.0 O3A A:ATP602 3.1 34.4 1.0 HB A:THR52 3.1 35.9 1.0 CB A:THR52 3.3 29.9 1.0 PG A:ATP602 3.3 30.9 1.0 O3B A:ATP602 3.3 42.5 1.0 H5'2 A:ATP602 3.4 43.9 1.0 H8 A:ATP602 3.5 44.3 1.0 H A:THR52 3.6 35.3 1.0 O2A A:ATP602 3.7 39.5 1.0 O5' A:ATP602 3.8 35.2 1.0 HG21 A:THR52 4.1 36.2 1.0 O A:HOH847 4.1 36.9 1.0 O1G A:ATP602 4.1 31.6 1.0 C5' A:ATP602 4.1 36.6 1.0 N A:THR52 4.2 29.4 1.0 HD21 A:ASN73 4.2 56.5 1.0 O A:HOH720 4.2 28.3 1.0 CG2 A:THR52 4.3 30.2 1.0 HB2 A:LYS51 4.3 37.7 1.0 CA A:THR52 4.3 27.3 1.0 O2B A:ATP602 4.4 41.6 1.0 O2G A:ATP602 4.5 32.0 1.0 HZ3 A:LYS51 4.5 44.3 1.0 OD2 A:ASP128 4.5 34.2 1.0 HZ1 A:LYS51 4.5 44.3 1.0 OA1 A:FLC601 4.5 34.6 1.0 O A:HOH732 4.5 32.3 1.0 C8 A:ATP602 4.5 36.9 1.0 HA A:THR52 4.7 32.7 1.0 HG23 A:THR52 4.7 36.2 1.0 O4' A:ATP602 4.7 36.1 1.0 OD1 A:ASP128 4.8 34.9 1.0 HE2 A:LYS51 4.8 40.1 1.0 O A:HOH942 4.8 43.3 1.0 H5'1 A:ATP602 4.9 43.9 1.0 NZ A:LYS51 4.9 36.9 1.0 ND2 A:ASN73 5.0 47.1 1.0

Magnesium binding site 2 out of 2 in the Human Heart 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (PFKFB2)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human Heart 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (PFKFB2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg603 b:32.5 occ:0.95 OG1 B:THR52 1.7 37.6 1.0 HB B:THR52 1.9 24.6 1.0 O3G B:ATP602 2.1 26.1 1.0 O2A B:ATP602 2.1 29.8 1.0 CB B:THR52 2.2 20.5 1.0 O B:HOH833 2.3 28.5 1.0 O B:HOH779 2.3 25.4 1.0 O2B B:ATP602 2.6 36.7 1.0 H B:THR52 3.0 34.6 1.0 HG21 B:THR52 3.4 36.7 1.0 CG2 B:THR52 3.4 30.6 1.0 CA B:THR52 3.4 26.1 1.0 N B:THR52 3.4 28.9 1.0 PG B:ATP602 3.4 27.6 1.0 H8 B:ATP602 3.5 41.9 1.0 H5'2 B:ATP602 3.5 34.9 1.0 PA B:ATP602 3.6 29.1 1.0 PB B:ATP602 3.6 30.0 1.0 HA B:THR52 3.8 31.3 1.0 O3B B:ATP602 3.8 32.9 1.0 OD2 B:ASP128 3.8 31.3 1.0 HB2 B:LYS51 3.8 31.1 1.0 HG23 B:THR52 3.9 36.7 1.0 HD21 B:ASN73 3.9 38.7 1.0 O3A B:ATP602 4.0 27.9 1.0 OD1 B:ASP128 4.0 26.5 1.0 HG22 B:THR52 4.1 36.7 1.0 O2G B:ATP602 4.2 27.0 1.0 CG B:ASP128 4.3 26.1 1.0 O B:HOH736 4.4 23.9 1.0 O1G B:ATP602 4.4 28.4 1.0 C5' B:ATP602 4.5 29.1 1.0 O5' B:ATP602 4.5 33.1 1.0 O1A B:ATP602 4.5 33.0 1.0 C8 B:ATP602 4.5 34.9 1.0 C B:LYS51 4.6 29.6 1.0 HZ3 B:LYS51 4.6 34.9 1.0 HE2 B:LYS51 4.6 32.2 1.0 OG2 B:FLC601 4.6 32.2 1.0 O B:HOH760 4.6 34.7 1.0 ND2 B:ASN73 4.6 32.2 1.0 O4' B:ATP602 4.7 33.8 1.0 O B:HOH746 4.7 22.6 1.0 CB B:LYS51 4.7 25.9 1.0 HZ1 B:LYS51 4.7 34.9 1.0 O B:HOH732 4.8 23.6 1.0 C B:THR52 4.8 29.4 1.0 HD22 B:ASN73 4.9 38.7 1.0 H B:LYS51 4.9 29.4 1.0

R.B.Crochet, J.D.Kim, H.Lee, Y.S.Yim, S.G.Kim, D.Neau, Y.H.Lee. Crystal Structure of Heart 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (PFKFB2) and the Inhibitory Influence of Citrate on Substrate Binding. Proteins V. 85 117 2017.
ISSN: ESSN 1097-0134
PubMed: 27802586
DOI: 10.1002/PROT.25204