Magnesium in PDB 6h40: High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol.

The structure of High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol., PDB code: 6h40 was solved by P.J.B.Pereira, J.Ripoll-Rozada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.99 / 1.05
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	113.134, 113.134, 41.107, 90.00, 90.00, 120.00
R / Rfree (%)	10.8 / 12

The structure of High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol. also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol. (pdb code 6h40). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol., PDB code: 6h40:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg606 b:11.5 occ:1.00 O A:HOH715 2.0 12.1 1.0 OD1 A:ASP141 2.0 12.1 1.0 OD2 A:ASP170 2.1 11.8 1.0 O3 A:GOL603 2.1 11.2 0.4 O A:HOH711 2.1 14.5 1.0 ND1 A:HIS169 2.2 10.9 1.0 C A:FW5604 2.2 14.2 0.6 O A:FW5604 2.2 19.3 0.6 CG A:ASP141 3.0 11.3 1.0 CG A:ASP170 3.1 13.1 1.0 CE1 A:HIS169 3.1 12.1 1.0 HB3 A:HIS169 3.1 12.8 1.0 C3 A:GOL603 3.2 15.8 0.4 HE1 A:HIS169 3.2 14.5 1.0 CG A:HIS169 3.3 10.7 1.0 OD2 A:ASP141 3.3 12.3 1.0 OD1 A:ASP170 3.4 18.1 1.0 C1 A:FW5604 3.4 18.4 0.6 CB A:HIS169 3.7 10.7 1.0 O2 A:GOL603 4.0 22.1 0.4 O A:HOH705 4.0 12.8 0.4 HB2 A:SAH605 4.1 11.8 1.0 HB2 A:PHE20 4.1 14.4 1.0 C2 A:GOL603 4.1 18.1 0.4 NE2 A:HIS144 4.1 22.5 1.0 HB2 A:HIS169 4.1 12.8 1.0 O A:PHE20 4.1 13.9 1.0 O1 A:FW5604 4.2 17.6 0.6 NE2 A:HIS169 4.2 13.2 1.0 HA A:ASP141 4.3 11.2 1.0 CD2 A:HIS169 4.4 12.3 1.0 C2 A:FW5604 4.4 18.7 0.6 CB A:ASP141 4.4 10.7 1.0 CB A:ASP170 4.4 12.6 1.0 HE1 A:HIS144 4.4 22.7 1.0 HB2 A:ASP170 4.5 15.1 1.0 HB3 A:PHE20 4.5 14.4 1.0 HE2 A:MET21 4.7 18.4 1.0 CE1 A:HIS144 4.7 18.9 1.0 O A:HOH899 4.7 21.3 1.0 HE1 A:MET21 4.7 18.4 1.0 CB A:PHE20 4.8 12.0 1.0 HB2 A:ASP141 4.8 12.8 1.0 O A:ASP141 4.8 10.4 1.0 CA A:ASP141 4.8 9.4 1.0 N A:ASP170 4.9 10.9 1.0 H A:ASP170 4.9 13.1 1.0 HN1 A:SAH605 5.0 13.3 1.0 HG1 A:SAH605 5.0 11.6 1.0 CA A:HIS169 5.0 10.4 1.0

Magnesium binding site 2 out of 2 in the High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg607 b:15.0 occ:1.00 O A:HOH707 2.0 21.4 1.0 O A:HOH702 2.0 21.5 1.0 O A:HOH803 2.0 14.8 1.0 OD2 A:ASP112 2.1 12.0 1.0 O A:HOH719 2.1 15.3 1.0 O1 A:GOL609 2.1 14.2 0.5 C1 A:GOL609 2.2 27.6 0.5 O2 A:GOL609 2.2 13.9 0.5 CG A:ASP112 3.1 11.1 1.0 C2 A:GOL609 3.3 29.5 0.5 OD1 A:ASP112 3.4 12.0 1.0 C2 A:GOL609 3.7 34.3 0.5 O3 A:GOL609 4.1 25.6 0.5 O3 A:GOL609 4.1 19.6 0.5 O A:HOH833 4.3 24.0 1.0 C3 A:GOL609 4.3 26.2 0.5 O1 A:GOL609 4.4 16.0 0.5 CB A:ASP112 4.4 11.1 1.0 C1 A:GOL609 4.4 17.6 0.5 C3 A:GOL609 4.4 33.9 0.5 O2 A:GOL609 4.5 30.9 0.5 HB2 A:ASP112 4.6 13.3 1.0 HB3 A:ASP112 4.6 13.3 1.0 O A:HOH950 4.9 36.8 1.0

J.Ripoll-Rozada, M.Costa, J.A.Manso, A.Maranha, V.Miranda, A.Sequeira, M.R.Ventura, S.Macedo-Ribeiro, P.J.B.Pereira, N.Empadinhas. Biosynthesis of Mycobacterial Methylmannose Polysaccharides Requires A Unique 1-O-Methyltransferase Specific For 3-O-Methylated Mannosides. Proc. Natl. Acad. Sci. V. 116 835 2019U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30606802
DOI: 10.1073/PNAS.1813450116