Magnesium in PDB 6kkh: Crystal Structure of the Oxalate Bound Malyl-Coa Lyase From Roseiflexus Castenholzii

The structure of Crystal Structure of the Oxalate Bound Malyl-Coa Lyase From Roseiflexus Castenholzii, PDB code: 6kkh was solved by W.R.Tang, Z.G.Wang, C.Y.Zhang, C.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.48 / 2.64
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	97.899, 156.652, 155.090, 90.00, 98.20, 90.00
R / Rfree (%)	19.9 / 26

The binding sites of Magnesium atom in the Crystal Structure of the Oxalate Bound Malyl-Coa Lyase From Roseiflexus Castenholzii (pdb code 6kkh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Oxalate Bound Malyl-Coa Lyase From Roseiflexus Castenholzii, PDB code: 6kkh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Oxalate Bound Malyl-Coa Lyase From Roseiflexus Castenholzii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Oxalate Bound Malyl-Coa Lyase From Roseiflexus Castenholzii within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg402 b:59.6 occ:1.00 OE2 F:GLU156 1.9 53.1 1.0 O3 F:OXL401 1.9 48.2 1.0 C1 F:OXL401 2.3 49.0 1.0 OD2 F:ASP183 2.7 45.7 1.0 O1 F:OXL401 2.9 48.8 1.0 O2 F:OXL401 3.0 50.7 1.0 C2 F:OXL401 3.1 50.2 1.0 CD F:GLU156 3.1 48.3 1.0 OD2 F:ASP60 3.4 73.3 1.0 CG F:ASP183 3.7 43.1 1.0 OE1 F:GLU156 3.9 47.0 1.0 NH1 F:ARG91 4.1 49.9 1.0 CB F:ASP183 4.1 43.0 1.0 CB A:ALA319 4.1 58.5 1.0 CG F:GLU156 4.2 45.6 1.0 O4 F:OXL401 4.3 50.6 1.0 OE1 F:GLU59 4.3 57.5 1.0 CG F:ASP60 4.3 70.6 1.0 NZ F:LYS122 4.4 47.5 1.0 CB F:ASP60 4.5 66.7 1.0 CD1 F:LEU154 4.7 44.2 1.0 OD1 F:ASP183 4.7 43.9 1.0 CZ F:ARG91 4.8 50.4 1.0 NH2 F:ARG91 4.8 50.0 1.0 N F:ASP183 4.9 45.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Oxalate Bound Malyl-Coa Lyase From Roseiflexus Castenholzii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Oxalate Bound Malyl-Coa Lyase From Roseiflexus Castenholzii within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg402 b:78.6 occ:1.00 OD2 I:ASP183 2.1 65.7 1.0 OE2 I:GLU156 2.3 63.5 1.0 OD2 I:ASP60 2.3 97.3 1.0 O4 I:OXL401 2.8 91.5 1.0 CD I:GLU156 3.0 62.1 1.0 O3 I:OXL401 3.0 84.1 1.0 OE1 I:GLU156 3.0 63.9 1.0 OE1 I:GLU59 3.3 84.1 1.0 CG I:ASP60 3.3 0.7 1.0 CG I:ASP183 3.3 61.0 1.0 C2 I:OXL401 3.4 87.4 1.0 C1 I:OXL401 3.6 85.0 1.0 O I:HOH503 3.8 62.3 1.0 CB I:ASP60 4.0 0.5 1.0 CB I:ASP183 4.1 57.0 1.0 OD1 I:ASP60 4.2 0.3 1.0 OD1 I:ASP183 4.3 61.7 1.0 O2 I:OXL401 4.3 85.2 1.0 CE I:LYS122 4.4 72.3 1.0 CD I:GLU59 4.4 90.4 1.0 CG I:GLU156 4.4 58.9 1.0 NH1 I:ARG91 4.5 63.9 1.0 CB H:ALA319 4.5 91.5 1.0 CD2 I:LEU154 4.7 59.5 1.0 O1 I:OXL401 4.8 78.1 1.0 CZ I:ARG91 4.8 63.8 1.0 NZ I:LYS122 4.9 75.0 1.0 OE2 I:GLU59 4.9 87.7 1.0 NH2 I:ARG91 4.9 64.7 1.0

W.Tang, Z.Wang, C.Zhang, C.Wang, Z.Min, X.Zhang, D.Liu, J.Shen, X.Xu. The C-Terminal Domain Conformational Switch Revealed By the Crystal Structure of Malyl-Coa Lyase From Roseiflexus Castenholzii. Biochem.Biophys.Res.Commun. V. 518 72 2019.
ISSN: ESSN 1090-2104
PubMed: 31405562
DOI: 10.1016/J.BBRC.2019.08.010