Magnesium in PDB 5tk8: Structure of the Hd-Domain Phosphohydrolase Oxsa with Oxetanocin-A Monophosphate Bound

The structure of Structure of the Hd-Domain Phosphohydrolase Oxsa with Oxetanocin-A Monophosphate Bound, PDB code: 5tk8 was solved by J.Bridwell-Rabb, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.29 / 1.64
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	143.031, 143.031, 53.786, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 20.4

The binding sites of Magnesium atom in the Structure of the Hd-Domain Phosphohydrolase Oxsa with Oxetanocin-A Monophosphate Bound (pdb code 5tk8). 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 Structure of the Hd-Domain Phosphohydrolase Oxsa with Oxetanocin-A Monophosphate Bound, PDB code: 5tk8:

Magnesium binding site 1 out of 1 in the Structure of the Hd-Domain Phosphohydrolase Oxsa with Oxetanocin-A Monophosphate Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Hd-Domain Phosphohydrolase Oxsa with Oxetanocin-A Monophosphate Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:41.5 occ:1.00 O A:HOH301 1.8 47.6 1.0 O A:HOH302 1.9 38.0 1.0 O A:HOH306 1.9 34.7 0.5 NE2 A:HIS66 2.0 35.6 0.5 NE2 A:HIS31 2.1 30.4 1.0 OD2 A:ASP67 2.3 42.3 1.0 OD1 A:ASP132 2.5 39.4 1.0 CE1 A:HIS31 2.8 31.5 1.0 CD2 A:HIS66 2.8 37.7 0.5 CG A:ASP132 3.0 40.7 1.0 OD2 A:ASP132 3.0 38.0 1.0 CG A:ASP67 3.1 39.1 1.0 CE1 A:HIS66 3.1 32.4 0.5 OD1 A:ASP67 3.2 43.5 1.0 CD2 A:HIS31 3.3 32.5 1.0 ND1 A:HIS66 3.8 31.7 0.5 O A:HOH370 3.8 49.7 1.0 O18 A:7D5201 3.9 44.6 1.0 CG A:HIS66 4.0 37.3 0.5 ND1 A:HIS31 4.0 29.9 1.0 O A:HOH364 4.1 29.2 0.5 ND1 A:HIS66 4.1 34.0 0.5 O A:HOH331 4.2 31.9 1.0 CG A:HIS31 4.3 26.1 1.0 CB A:ASP132 4.3 31.3 1.0 NH1 A:ARG16 4.4 29.2 1.0 CB A:ASP67 4.5 30.3 1.0 O A:HOH335 4.5 38.8 1.0 O A:HOH314 4.5 47.7 1.0 CG2 A:VAL35 4.5 26.0 1.0 CE1 A:HIS66 4.6 38.5 0.5 CG A:HIS66 4.9 35.0 0.5 CA A:ASP132 4.9 31.0 1.0 CB A:HIS66 5.0 32.5 0.5

J.Bridwell-Rabb, G.Kang, A.Zhong, H.W.Liu, C.L.Drennan. An Hd Domain Phosphohydrolase Active Site Tailored For Oxetanocin-A Biosynthesis. Proc. Natl. Acad. Sci. V. 113 13750 2016U.S.A..
ISSN: ESSN 1091-6490
PubMed: 27849620
DOI: 10.1073/PNAS.1613610113