Manganese in PDB 5wcx: Streptococcus Pyogenes Phosphoglycerol Transferase Gach in Complex with Sn-Glycerol-1-Phosphate, Crystal Form 1

The structure of Streptococcus Pyogenes Phosphoglycerol Transferase Gach in Complex with Sn-Glycerol-1-Phosphate, Crystal Form 1, PDB code: 5wcx was solved by R.J.Edgar, N.Korotkova, K.V.Korotkov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.43 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.970, 77.530, 174.940, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 21.2

The structure of Streptococcus Pyogenes Phosphoglycerol Transferase Gach in Complex with Sn-Glycerol-1-Phosphate, Crystal Form 1 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Manganese atom in the Streptococcus Pyogenes Phosphoglycerol Transferase Gach in Complex with Sn-Glycerol-1-Phosphate, Crystal Form 1 (pdb code 5wcx). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Streptococcus Pyogenes Phosphoglycerol Transferase Gach in Complex with Sn-Glycerol-1-Phosphate, Crystal Form 1, PDB code: 5wcx:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Streptococcus Pyogenes Phosphoglycerol Transferase Gach in Complex with Sn-Glycerol-1-Phosphate, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Streptococcus Pyogenes Phosphoglycerol Transferase Gach in Complex with Sn-Glycerol-1-Phosphate, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn901 b:38.3 occ:1.00 OG1 A:THR530 1.9 57.6 1.0 OD2 A:ASP711 2.1 49.7 1.0 OE1 A:GLU488 2.1 50.7 1.0 NE2 A:HIS712 2.2 40.4 1.0 OE2 A:GLU488 2.2 49.5 1.0 O2P A:1GP902 2.4 74.5 1.0 CD A:GLU488 2.5 49.4 1.0 CD2 A:HIS712 3.1 39.2 1.0 CE1 A:HIS712 3.1 39.6 1.0 CG A:ASP711 3.2 48.9 1.0 CB A:THR530 3.2 55.5 1.0 HD2 A:HIS712 3.3 47.1 1.0 HE1 A:HIS712 3.3 47.5 1.0 P A:1GP902 3.5 75.4 1.0 OD1 A:ASP711 3.5 48.2 1.0 H A:THR530 3.6 59.7 1.0 HA A:THR530 3.6 60.6 1.0 HG21 A:THR530 3.6 68.2 1.0 HG23 A:THR530 3.7 68.2 1.0 CG2 A:THR530 3.7 56.9 1.0 O1P A:1GP902 3.8 74.7 1.0 CA A:THR530 3.8 50.5 1.0 HB A:THR530 3.8 66.5 1.0 HO3P A:1GP902 3.9 89.7 1.0 HG A:SER489 3.9 45.2 1.0 HA2 A:GLY528 3.9 51.1 1.0 CG A:GLU488 4.0 46.5 1.0 H A:SER489 4.0 49.3 1.0 N A:THR530 4.0 49.7 1.0 O3P A:1GP902 4.1 74.7 1.0 ND1 A:HIS712 4.1 40.0 1.0 HA A:GLU488 4.1 47.1 1.0 CG A:HIS712 4.2 40.5 1.0 HD2 A:HIS650 4.2 52.5 1.0 HD21 A:LEU486 4.4 53.1 1.0 HG3 A:GLU488 4.4 55.8 1.0 HG2 A:GLU488 4.4 55.8 1.0 CB A:ASP711 4.5 43.2 1.0 HB2 A:ASP711 4.5 51.9 1.0 H11 A:1GP902 4.5 88.5 1.0 OG A:SER489 4.5 37.7 1.0 O A:HOH1001 4.6 39.0 1.0 N A:SER489 4.6 41.1 1.0 HG22 A:THR530 4.7 68.2 1.0 CA A:GLY528 4.7 42.6 1.0 HB2 A:GLU488 4.8 52.9 1.0 CB A:GLU488 4.8 44.1 1.0 C1 A:1GP902 4.8 73.8 1.0 O4P A:1GP902 4.8 77.4 1.0 CA A:GLU488 4.8 39.3 1.0 HB3 A:ASP711 4.9 51.9 1.0 HD1 A:HIS712 4.9 48.0 1.0 CD2 A:HIS650 4.9 43.8 1.0 C A:GLY528 4.9 44.2 1.0 HE2 A:HIS650 5.0 53.3 1.0

Manganese binding site 2 out of 2 in the Streptococcus Pyogenes Phosphoglycerol Transferase Gach in Complex with Sn-Glycerol-1-Phosphate, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Streptococcus Pyogenes Phosphoglycerol Transferase Gach in Complex with Sn-Glycerol-1-Phosphate, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn901 b:34.5 occ:1.00 OG1 B:THR530 2.0 55.9 1.0 OD2 B:ASP711 2.1 40.9 1.0 NE2 B:HIS712 2.2 42.7 1.0 OE2 B:GLU488 2.2 43.5 1.0 OE1 B:GLU488 2.2 42.4 1.0 O2P B:1GP902 2.4 67.4 1.0 CD B:GLU488 2.5 42.8 1.0 CE1 B:HIS712 3.0 43.6 1.0 CD2 B:HIS712 3.1 43.5 1.0 CG B:ASP711 3.1 41.0 1.0 HE1 B:HIS712 3.3 52.4 1.0 HD2 B:HIS712 3.3 52.2 1.0 CB B:THR530 3.3 51.0 1.0 OD1 B:ASP711 3.4 40.0 1.0 P B:1GP902 3.5 71.7 1.0 H B:THR530 3.6 56.2 1.0 HO3P B:1GP902 3.7 88.5 1.0 HA B:THR530 3.7 55.1 1.0 HG23 B:THR530 3.8 63.4 1.0 HG21 B:THR530 3.8 63.4 1.0 HG B:SER489 3.9 45.8 1.0 CG2 B:THR530 3.9 52.9 1.0 CA B:THR530 3.9 46.0 1.0 HA2 B:GLY528 4.0 50.0 1.0 O3P B:1GP902 4.0 73.8 1.0 HB B:THR530 4.0 61.2 1.0 O B:HOH1041 4.0 52.9 1.0 H B:SER489 4.0 42.1 1.0 CG B:GLU488 4.0 41.3 1.0 N B:THR530 4.0 46.8 1.0 O1P B:1GP902 4.0 72.0 1.0 HA B:GLU488 4.1 41.7 1.0 ND1 B:HIS712 4.1 43.0 1.0 CG B:HIS712 4.1 42.0 1.0 HD21 B:LEU486 4.3 44.4 1.0 HG3 B:GLU488 4.4 49.5 1.0 HD2 B:HIS650 4.4 49.4 1.0 CB B:ASP711 4.4 37.8 1.0 HG2 B:GLU488 4.5 49.5 1.0 HB2 B:ASP711 4.5 45.3 1.0 OG B:SER489 4.5 38.2 1.0 N B:SER489 4.6 35.1 1.0 HB2 B:GLU488 4.7 46.1 1.0 O B:HOH1111 4.7 34.0 1.0 CA B:GLY528 4.8 41.7 1.0 H11 B:1GP902 4.8 86.3 1.0 CB B:GLU488 4.8 38.5 1.0 CA B:GLU488 4.8 34.7 1.0 HB3 B:ASP711 4.8 45.3 1.0 HG22 B:THR530 4.8 63.4 1.0 HD1 B:HIS712 4.8 51.6 1.0 O4P B:1GP902 4.9 73.2 1.0 C B:GLY528 4.9 42.9 1.0 CD2 B:HIS650 5.0 41.2 1.0

R.J.Edgar, K.V.Korotkov, N.Korotkova. Phosphoglycerol Transferase Gach From Streptococcus Pyogenes To Be Published.