Manganese in PDB 7fpm: Dhfr:Nadp+:Fol Complex at 280 K (Crystal 2)

All present enzymatic activity of Dhfr:Nadp+:Fol Complex at 280 K (Crystal 2):
1.5.1.3;

The structure of Dhfr:Nadp+:Fol Complex at 280 K (Crystal 2), PDB code: 7fpm was solved by J.B.Greisman, K.M.Dalton, D.E.Brookner, D.R.Hekstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.73 / 1.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.155, 45.506, 99.081, 90, 90, 90
R / Rfree (%)	12.9 / 15.3

The binding sites of Manganese atom in the Dhfr:Nadp+:Fol Complex at 280 K (Crystal 2) (pdb code 7fpm). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Dhfr:Nadp+:Fol Complex at 280 K (Crystal 2), PDB code: 7fpm:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Dhfr:Nadp+:Fol Complex at 280 K (Crystal 2)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Dhfr:Nadp+:Fol Complex at 280 K (Crystal 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn203 b:23.1 occ:0.14 O A:HOH432 1.9 48.9 0.4 O A:ASP116 2.2 15.5 0.7 ND1 A:HIS149 2.2 23.8 1.0 O A:ASP116 2.3 16.8 0.3 O A:HOH406 2.6 27.6 1.0 CE1 A:HIS149 3.1 25.9 1.0 HE1 A:HIS149 3.1 31.1 1.0 HA A:ALA117 3.1 19.5 1.0 HB3 A:HIS149 3.3 22.9 1.0 CG A:HIS149 3.3 22.1 1.0 C A:ASP116 3.4 14.3 0.7 C A:ASP116 3.4 16.2 0.3 HA A:HIS149 3.6 20.8 1.0 CB A:HIS149 3.8 19.1 1.0 O A:HOH432 3.8 40.7 0.6 HB2 A:ALA117 3.8 24.4 1.0 CA A:ALA117 3.9 16.3 1.0 N A:ALA117 4.1 15.4 1.0 HB3 A:ASP116 4.1 19.7 0.7 OD2 A:ASP116 4.2 22.9 0.7 CA A:HIS149 4.2 17.3 1.0 NE2 A:HIS149 4.2 28.8 1.0 CG A:ASP116 4.3 19.0 0.7 CB A:ALA117 4.3 20.3 1.0 HB2 A:ASP116 4.3 19.3 0.3 HB3 A:ASP116 4.4 19.3 0.3 CD2 A:HIS149 4.4 26.1 1.0 H A:SER150 4.5 20.2 1.0 CB A:ASP116 4.5 16.4 0.7 CA A:ASP116 4.6 14.1 0.7 CA A:ASP116 4.6 15.0 0.3 HB1 A:ALA117 4.6 24.4 1.0 HB2 A:HIS149 4.6 22.9 1.0 CB A:ASP116 4.7 16.1 0.3 O A:HOH401 4.7 37.7 0.3 O A:SER148 4.7 23.6 1.0 OD1 A:ASP116 4.8 20.2 0.7 H A:GLU118 4.9 21.3 0.6 H A:ALA117 4.9 18.5 0.5 H A:ALA117 4.9 18.5 0.5 H A:GLU118 5.0 19.1 0.4 HE2 A:HIS149 5.0 34.5 1.0

Manganese binding site 2 out of 3 in the Dhfr:Nadp+:Fol Complex at 280 K (Crystal 2)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Dhfr:Nadp+:Fol Complex at 280 K (Crystal 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn204 b:38.9 occ:0.34 OD1 A:ASP87 2.0 29.4 0.5 O A:HOH324 2.4 52.1 0.5 O A:HOH462 2.5 49.8 1.0 CG A:ASP87 2.9 29.9 0.5 OD2 A:ASP87 3.1 34.0 0.5 O A:HOH455 3.5 40.8 1.0 HB2 A:ASP87 3.5 34.9 0.5 O A:HOH324 4.3 53.1 0.5 HA A:ASP87 4.3 30.8 0.5 CB A:ASP87 4.3 27.6 0.5 HA A:ASP87 4.3 30.1 0.5 CB A:ASP87 4.4 29.1 0.5 CA A:ASP87 4.7 25.1 0.5 CG A:ASP87 4.7 33.0 0.5 CA A:ASP87 4.8 25.6 0.5 HB2 A:ASP87 4.8 33.1 0.5 HB3 A:ASP87 4.9 33.1 0.5 N A:ASP87 4.9 24.2 0.5 N A:ASP87 4.9 24.3 0.5

Manganese binding site 3 out of 3 in the Dhfr:Nadp+:Fol Complex at 280 K (Crystal 2)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Dhfr:Nadp+:Fol Complex at 280 K (Crystal 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn205 b:38.4 occ:0.23 O A:HOH450 1.9 38.4 1.0 O A:HOH458 2.0 49.4 1.0 O A:HOH345 2.1 40.3 1.0 O A:HOH302 2.4 52.7 1.0 HG A:SER77 3.8 22.7 1.0 O A:HOH407 4.1 23.0 1.0 HB2 A:ASP79 4.1 26.2 1.0 OD2 A:ASP79 4.3 37.9 1.0 HB2 A:SER77 4.3 20.7 1.0 OG A:SER77 4.5 18.9 1.0 HB3 A:SER77 4.6 20.7 1.0 CB A:SER77 4.7 17.3 1.0 CB A:ASP79 5.0 21.8 1.0

J.B.Greisman, K.M.Dalton, D.E.Brookner, D.R.Hekstra. Dhfr:Nadp+:Fol Complex at 280 K To Be Published.