Magnesium in PDB 4c1r: Bacteroides Thetaiotaomicron Vpi-5482 Mannosyl-6-Phosphatase BT3783

The structure of Bacteroides Thetaiotaomicron Vpi-5482 Mannosyl-6-Phosphatase BT3783, PDB code: 4c1r was solved by F.Cuskin, E.C.Lowe, Y.Zhu, M.Temple, A.J.Thompson, A.Cartmell, K.Piens, D.Bracke, W.Vervecken, J.L.Munoz-Munoz, M.D.L.Suits, A.B.Boraston, S.J.Williams, G.J.Davies, W.D.Abbott, E.C.Martens, H.J.Gilbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.15 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.440, 148.810, 71.450, 90.00, 117.10, 90.00
R / Rfree (%)	15.57 / 20.495

The binding sites of Magnesium atom in the Bacteroides Thetaiotaomicron Vpi-5482 Mannosyl-6-Phosphatase BT3783 (pdb code 4c1r). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Bacteroides Thetaiotaomicron Vpi-5482 Mannosyl-6-Phosphatase BT3783, PDB code: 4c1r:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Bacteroides Thetaiotaomicron Vpi-5482 Mannosyl-6-Phosphatase BT3783


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Bacteroides Thetaiotaomicron Vpi-5482 Mannosyl-6-Phosphatase BT3783 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:22.2 occ:1.00 O A:HOH2011 1.9 19.5 1.0 O A:HOH2049 2.0 16.3 1.0 O A:HOH2007 2.1 13.9 1.0 OE2 A:GLU71 2.1 15.9 1.0 O A:HOH2008 2.2 20.4 1.0 O A:HOH2009 2.3 13.7 1.0 CD A:GLU71 3.1 15.9 1.0 OE1 A:GLU71 3.3 14.1 1.0 ND2 A:ASN33 3.8 12.6 1.0 NE2 A:HIS300 3.9 20.1 1.0 OD2 A:ASP299 4.1 17.4 1.0 O A:HOH2050 4.2 38.9 1.0 NH1 A:ARG35 4.2 22.8 1.0 OD1 A:ASN33 4.3 13.2 1.0 CG A:GLU71 4.4 15.5 1.0 OD1 A:ASP299 4.4 15.4 1.0 CG A:ASN33 4.5 13.3 1.0 O A:HOH2014 4.5 37.4 1.0 O A:HOH2015 4.5 31.3 1.0 OD2 A:ASP198 4.6 14.1 1.0 CG A:ASP299 4.7 17.5 1.0 CD2 A:HIS300 4.7 16.0 1.0 CD A:ARG35 4.7 17.3 1.0 CE1 A:HIS162 4.9 16.6 1.0 CE1 A:HIS300 4.9 17.0 1.0

Magnesium binding site 2 out of 4 in the Bacteroides Thetaiotaomicron Vpi-5482 Mannosyl-6-Phosphatase BT3783


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Bacteroides Thetaiotaomicron Vpi-5482 Mannosyl-6-Phosphatase BT3783 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:18.3 occ:1.00 OE2 B:GLU71 2.0 16.1 1.0 O B:HOH2006 2.1 10.5 1.0 O B:HOH2053 2.1 13.3 1.0 O B:HOH2007 2.1 16.2 1.0 O B:HOH2009 2.2 18.1 1.0 O B:HOH2008 2.3 21.7 1.0 CD B:GLU71 3.0 15.4 1.0 OE1 B:GLU71 3.3 13.4 1.0 NE2 B:HIS300 4.0 13.7 1.0 ND2 B:ASN33 4.0 9.2 1.0 OD2 B:ASP299 4.2 20.0 1.0 NH1 B:ARG35 4.2 18.9 1.0 O B:HOH2014 4.2 35.2 1.0 OD1 B:ASN33 4.3 9.8 1.0 CG B:GLU71 4.3 13.8 1.0 O B:HOH2013 4.4 49.8 1.0 CG B:ASN33 4.5 10.6 1.0 OD1 B:ASP299 4.5 18.7 1.0 OD2 B:ASP198 4.6 15.3 1.0 CD B:ARG35 4.7 17.6 1.0 CD2 B:HIS300 4.7 13.5 1.0 CG B:ASP299 4.8 19.0 1.0 CE1 B:HIS162 4.9 14.4 1.0 O B:HOH2012 4.9 35.2 1.0

Magnesium binding site 3 out of 4 in the Bacteroides Thetaiotaomicron Vpi-5482 Mannosyl-6-Phosphatase BT3783


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Bacteroides Thetaiotaomicron Vpi-5482 Mannosyl-6-Phosphatase BT3783 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg401 b:17.5 occ:1.00 OE2 C:GLU71 2.0 11.8 1.0 O C:HOH2007 2.1 11.3 1.0 O C:HOH2006 2.1 14.5 1.0 O C:HOH2005 2.1 20.5 1.0 O C:HOH2040 2.2 15.8 1.0 O C:HOH2004 2.2 10.8 1.0 CD C:GLU71 3.0 11.1 1.0 OE1 C:GLU71 3.3 11.2 1.0 O C:HOH2111 3.9 24.7 1.0 ND2 C:ASN33 4.0 9.5 1.0 NH1 C:ARG35 4.2 12.7 1.0 NE2 C:HIS300 4.2 15.1 1.0 OD2 C:ASP299 4.2 14.9 1.0 O C:HOH2010 4.3 22.3 1.0 OD1 C:ASN33 4.3 12.5 1.0 CG C:GLU71 4.3 10.6 1.0 OD1 C:ASP299 4.4 11.8 1.0 O A:HOH2151 4.4 26.1 1.0 O A:HOH2102 4.5 30.3 1.0 O C:HOH2129 4.5 40.9 1.0 CD C:ARG35 4.5 12.1 1.0 CG C:ASN33 4.5 12.0 1.0 CG C:ASP299 4.8 13.7 1.0 O A:HOH2041 4.8 25.0 1.0 CD2 C:HIS300 4.8 14.4 1.0

Magnesium binding site 4 out of 4 in the Bacteroides Thetaiotaomicron Vpi-5482 Mannosyl-6-Phosphatase BT3783


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Bacteroides Thetaiotaomicron Vpi-5482 Mannosyl-6-Phosphatase BT3783 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg401 b:19.1 occ:1.00 O D:HOH2007 1.8 21.8 1.0 O D:HOH2006 2.1 15.4 1.0 O D:HOH2008 2.1 15.2 1.0 OE2 D:GLU71 2.1 12.3 1.0 O D:HOH2050 2.2 19.9 1.0 O D:HOH2005 2.2 12.9 1.0 CD D:GLU71 3.0 14.9 1.0 OE1 D:GLU71 3.2 14.7 1.0 ND2 D:ASN33 4.1 11.0 1.0 NH1 D:ARG35 4.1 19.6 1.0 O D:HOH2113 4.1 32.1 1.0 OD2 D:ASP299 4.2 23.2 1.0 O D:HOH2011 4.2 28.7 1.0 NE2 D:HIS300 4.2 14.2 1.0 OD1 D:ASN33 4.4 14.0 1.0 CG D:GLU71 4.4 13.6 1.0 OD1 D:ASP299 4.5 18.9 1.0 O D:HOH2012 4.5 37.3 1.0 CD D:ARG35 4.5 19.2 1.0 O D:HOH2013 4.6 39.0 1.0 CG D:ASN33 4.6 13.1 1.0 CG D:ASP299 4.8 19.9 1.0 O D:HOH2108 4.8 7.6 1.0 CD2 D:HIS300 4.9 13.6 1.0

F.Cuskin, E.C.Lowe, Y.Zhu, M.Temple, A.J.Thompson, A.Cartmell, K.Piens, D.Bracke, W.Vervecken, J.L.Munoz-Munoz, M.D.L.Suits, A.B.Boraston, S.J.Williams, G.J.Davies, W.D.Abbott, E.C.Martens, H.J.Gilbert. Specific Adaption of the Gut Microbiota to Unique Features of the Human Diet To Be Published.