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

Protein crystallography data

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

Other elements in 6h40:

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

Magnesium Binding Sites:

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 6h40

Go back to Magnesium Binding Sites List in 6h40
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 6h40

Go back to Magnesium Binding Sites List in 6h40
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

Reference:

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
Page generated: Mon Dec 14 22:47:19 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy