Magnesium in PDB 6no1: Adp Bound to K46BE Mutant Atp-Grasp Fold of Blastocystis Hominis Succinyl-Coa Synthetase

All present enzymatic activity of Adp Bound to K46BE Mutant Atp-Grasp Fold of Blastocystis Hominis Succinyl-Coa Synthetase:
6.2.1.5;

The structure of Adp Bound to K46BE Mutant Atp-Grasp Fold of Blastocystis Hominis Succinyl-Coa Synthetase, PDB code: 6no1 was solved by J.Huang, M.E.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.24 / 2.44
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.129, 96.681, 69.235, 90.00, 90.00, 90.00
R / Rfree (%)	26.5 / 28.9

The binding sites of Magnesium atom in the Adp Bound to K46BE Mutant Atp-Grasp Fold of Blastocystis Hominis Succinyl-Coa Synthetase (pdb code 6no1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Adp Bound to K46BE Mutant Atp-Grasp Fold of Blastocystis Hominis Succinyl-Coa Synthetase, PDB code: 6no1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Adp Bound to K46BE Mutant Atp-Grasp Fold of Blastocystis Hominis Succinyl-Coa Synthetase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Adp Bound to K46BE Mutant Atp-Grasp Fold of Blastocystis Hominis Succinyl-Coa Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:80.5 occ:1.00 O A:HOH401 2.1 94.2 1.0 OD1 A:ASP220 2.1 0.5 1.0 OD1 B:ASP220 2.2 0.6 1.0 OD2 A:ASP220 2.2 0.3 1.0 OD2 B:ASP220 2.2 93.0 1.0 OE1 A:GLU216 2.2 80.0 1.0 CG A:ASP220 2.3 0.8 1.0 CG B:ASP220 2.5 87.1 1.0 CD A:GLU216 3.5 78.4 1.0 CB A:ASP220 3.7 0.6 1.0 HB3 A:ASP220 3.9 0.4 1.0 HB3 A:GLU216 3.9 94.4 1.0 HA A:ASP220 4.0 0.8 1.0 CB B:ASP220 4.0 82.7 1.0 HD2 A:LYS114 4.0 0.7 1.0 HD3 A:LYS114 4.1 0.7 1.0 OE2 A:GLU216 4.1 77.1 1.0 HB2 A:GLU216 4.3 94.4 1.0 HB2 A:ASP220 4.4 0.4 1.0 HB3 B:ASP220 4.4 99.3 1.0 CA A:ASP220 4.4 84.8 1.0 CB A:GLU216 4.5 78.7 1.0 HB2 B:ASP220 4.5 99.3 1.0 HZ2 A:LYS114 4.5 0.0 1.0 CD A:LYS114 4.5 90.6 1.0 CG A:GLU216 4.6 79.6 1.0 O B:PRO218 4.6 70.9 1.0 HA B:ASP220 4.7 0.4 1.0 HZ3 A:LYS114 4.7 0.0 1.0 CA B:ASP220 4.8 84.5 1.0 H B:ASP220 4.9 93.8 1.0 HB3 A:LYS114 4.9 89.7 1.0 N B:ASP220 4.9 78.1 1.0 HZ3 B:LYS114 4.9 0.3 1.0 H A:ASP220 5.0 97.6 1.0 O A:THR217 5.0 79.0 1.0 N A:ASP220 5.0 81.3 1.0

Magnesium binding site 2 out of 2 in the Adp Bound to K46BE Mutant Atp-Grasp Fold of Blastocystis Hominis Succinyl-Coa Synthetase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Adp Bound to K46BE Mutant Atp-Grasp Fold of Blastocystis Hominis Succinyl-Coa Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:57.6 occ:1.00 HOA2 A:ADP301 1.8 85.0 0.8 OD2 A:ASP228 2.1 82.3 1.0 O A:ASN210 2.2 81.8 1.0 O3B A:ADP301 2.2 65.9 0.8 HOB3 A:ADP301 2.3 79.2 0.8 O2A A:ADP301 2.4 70.8 0.8 CG A:ASP228 3.2 80.2 1.0 PA A:ADP301 3.3 70.0 0.8 HD3 A:PRO211 3.3 74.8 1.0 C A:ASN210 3.3 72.3 1.0 HB3 A:ASP228 3.3 95.6 1.0 PB A:ADP301 3.4 77.0 0.8 HB2 A:ASP228 3.5 95.6 1.0 O3A A:ADP301 3.5 69.7 0.8 CB A:ASP228 3.6 79.7 1.0 O1A A:ADP301 3.7 71.2 0.8 HB3 A:ASN210 3.7 87.3 1.0 OD1 A:ASN210 3.9 71.7 1.0 CD A:PRO211 3.9 62.3 1.0 O1B A:ADP301 3.9 67.2 0.8 HD2 A:PRO211 4.0 74.8 1.0 N A:PRO211 4.1 69.7 1.0 HH21 A:ARG58 4.2 0.1 1.0 CB A:ASN210 4.3 72.8 1.0 CG A:ASN210 4.3 71.9 1.0 OD1 A:ASP228 4.3 80.4 1.0 CA A:ASN210 4.4 77.1 1.0 HO3' A:ADP301 4.5 91.1 0.8 O A:HOH402 4.6 92.1 1.0 O2B A:ADP301 4.6 68.7 0.8 H A:ASN210 4.6 83.4 1.0 O5' A:ADP301 4.7 69.9 0.8 H3' A:ADP301 4.8 93.8 0.8 H5'1 A:ADP301 4.9 89.6 0.8 NH2 A:ARG58 5.0 84.2 1.0

J.Huang, V.H.Nguyen, K.A.Hamblin, R.Maytum, M.Van Der Giezen, M.E.Fraser. Atp-Specificity of Succinyl-Coa Synthetase From Blastocystis Hominis. Acta Crystallogr D Struct V. 75 647 2019BIOL.
ISSN: ISSN 2059-7983
PubMed: 31282474
DOI: 10.1107/S2059798319007976