Magnesium in PDB 1jbw: Fpgs-Amppcp-Folate Complex

All present enzymatic activity of Fpgs-Amppcp-Folate Complex:
6.3.2.17;

The structure of Fpgs-Amppcp-Folate Complex, PDB code: 1jbw was solved by X.Sun, J.A.Cross, A.L.Bognar, E.N.Baker, C.A.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.100, 45.600, 82.700, 90.00, 104.60, 90.00
R / Rfree (%)	19.5 / 22.5

The binding sites of Magnesium atom in the Fpgs-Amppcp-Folate Complex (pdb code 1jbw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Fpgs-Amppcp-Folate Complex, PDB code: 1jbw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Fpgs-Amppcp-Folate Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Fpgs-Amppcp-Folate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg997 b:30.7 occ:1.00 O A:HOH432 1.9 28.2 1.0 O A:HOH435 2.0 31.4 1.0 O A:HOH433 2.2 26.4 1.0 O1D A:ACQ999 2.2 28.2 1.0 O A:HOH434 2.3 31.1 1.0 O1G A:ACQ999 2.4 23.0 1.0 O A:HOH795 3.1 38.9 1.0 PD A:ACQ999 3.4 31.2 1.0 PG A:ACQ999 3.4 24.8 1.0 O3G A:ACQ999 3.5 26.2 1.0 O A:HOH813 3.7 44.6 1.0 NE2 A:HIS316 3.8 28.8 1.0 NE2 A:HIS170 3.8 54.6 1.0 O3D A:ACQ999 3.9 32.6 1.0 CE1 A:HIS316 4.2 30.6 1.0 O A:HOH699 4.3 24.7 1.0 OD1 A:ASP169 4.3 47.2 1.0 OD2 A:ASP169 4.3 42.0 1.0 C3B A:ACQ999 4.4 21.6 1.0 CD2 A:HIS170 4.4 53.5 1.0 O A:THR47 4.5 13.2 1.0 NZ A:LYS50 4.5 14.7 1.0 O A:HOH758 4.6 33.3 1.0 CG A:ASP169 4.7 43.9 1.0 O2D A:ACQ999 4.7 31.0 1.0 O2G A:ACQ999 4.7 23.1 1.0 O A:HOH814 4.7 45.4 1.0 CE1 A:HIS170 4.8 54.9 1.0

Magnesium binding site 2 out of 2 in the Fpgs-Amppcp-Folate Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Fpgs-Amppcp-Folate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg998 b:20.6 occ:1.00 O A:HOH431 2.0 35.6 1.0 O2G A:ACQ999 2.1 23.1 1.0 OE2 A:GLU143 2.2 16.1 1.0 O A:SER73 2.3 12.6 1.0 O A:HOH430 2.3 35.0 1.0 O1B A:ACQ999 2.3 21.0 1.0 CD A:GLU143 3.1 10.5 1.0 C3B A:ACQ999 3.2 21.6 1.0 OE1 A:GLU143 3.3 11.3 1.0 PG A:ACQ999 3.3 24.8 1.0 PB A:ACQ999 3.3 19.4 1.0 C A:SER73 3.5 12.9 1.0 O1A A:ACQ999 4.0 19.0 1.0 O A:HOH512 4.0 16.2 1.0 CD A:PRO74 4.1 13.0 1.0 O A:HOH457 4.2 20.7 1.0 N A:PRO74 4.2 12.4 1.0 N A:GLY51 4.2 9.2 1.0 O3G A:ACQ999 4.2 26.2 1.0 O3A A:ACQ999 4.2 20.7 1.0 O A:HOH815 4.3 41.8 1.0 CA A:GLY51 4.3 10.0 1.0 N A:SER73 4.4 13.2 1.0 O1G A:ACQ999 4.4 23.0 1.0 O2B A:ACQ999 4.5 20.6 1.0 CG A:GLU143 4.5 12.1 1.0 CA A:SER73 4.6 14.4 1.0 CD1 A:LEU413 4.7 19.4 1.0 PA A:ACQ999 4.7 16.4 1.0 OG A:SER73 4.8 23.8 1.0 CE A:LYS50 4.8 15.3 1.0 NH1 A:ARG300 4.9 30.4 1.0 CB A:LYS50 5.0 11.7 1.0

X.Sun, J.A.Cross, A.L.Bognar, E.N.Baker, C.A.Smith. Folate-Binding Triggers the Activation of Folylpolyglutamate Synthetase. J.Mol.Biol. V. 310 1067 2001.
ISSN: ISSN 0022-2836
PubMed: 11501996
DOI: 10.1006/JMBI.2001.4815