Manganese in PDB 7fpz: Dhfr:Nadp+:Fol Complex at 300 K (Crystal 3)

All present enzymatic activity of Dhfr:Nadp+:Fol Complex at 300 K (Crystal 3):
1.5.1.3;

The structure of Dhfr:Nadp+:Fol Complex at 300 K (Crystal 3), PDB code: 7fpz 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)	27.21 / 1.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.085, 45.191, 98.888, 90, 90, 90
R / Rfree (%)	14.3 / 18.2

The binding sites of Manganese atom in the Dhfr:Nadp+:Fol Complex at 300 K (Crystal 3) (pdb code 7fpz). 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 300 K (Crystal 3), PDB code: 7fpz:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Dhfr:Nadp+:Fol Complex at 300 K (Crystal 3)


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 300 K (Crystal 3) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn203 b:22.5 occ:0.22 O A:HOH413 1.9 51.2 0.4 O A:ASP116 2.1 20.9 0.7 O A:ASP116 2.1 16.6 0.3 ND1 A:HIS149 2.3 27.9 1.0 O A:HOH412 2.6 29.4 1.0 HA A:ALA117 3.1 21.2 1.0 CE1 A:HIS149 3.1 30.0 1.0 HE1 A:HIS149 3.2 36.0 1.0 C A:ASP116 3.3 17.6 0.7 HB3 A:HIS149 3.3 26.1 1.0 C A:ASP116 3.3 17.2 0.3 CG A:HIS149 3.4 25.2 1.0 HA A:HIS149 3.7 24.1 1.0 CB A:HIS149 3.8 21.7 1.0 HB2 A:ALA117 3.8 24.7 1.0 CA A:ALA117 3.9 17.7 1.0 HB3 A:ASP116 3.9 22.8 0.7 O A:HOH413 4.0 40.2 0.6 N A:ALA117 4.0 17.1 1.0 OD2 A:ASP116 4.2 23.6 0.7 CG A:ASP116 4.2 21.4 0.7 HB2 A:ASP116 4.2 23.5 0.3 HB3 A:ASP116 4.3 23.5 0.3 CA A:HIS149 4.3 20.1 1.0 CB A:ALA117 4.3 20.6 1.0 NE2 A:HIS149 4.3 30.8 1.0 CB A:ASP116 4.4 19.0 0.7 H A:SER150 4.4 22.4 1.0 CA A:ASP116 4.4 17.6 0.7 CD2 A:HIS149 4.4 28.9 1.0 CA A:ASP116 4.5 17.9 0.3 CB A:ASP116 4.5 19.6 0.3 O A:HOH406 4.5 36.0 0.3 HB1 A:ALA117 4.5 24.7 1.0 HB2 A:HIS149 4.6 26.1 1.0 OD1 A:ASP116 4.6 21.9 0.7 O A:SER148 4.8 25.2 1.0 H A:ALA117 4.9 20.5 0.5 H A:ALA117 4.9 20.5 0.5 H A:GLU118 4.9 24.7 0.6 H A:GLU118 4.9 22.9 0.4

Manganese binding site 2 out of 3 in the Dhfr:Nadp+:Fol Complex at 300 K (Crystal 3)


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 300 K (Crystal 3) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn204 b:43.4 occ:0.57 O A:HOH319 2.0 52.9 0.6 OD1 A:ASP87 2.1 32.9 0.6 O A:HOH461 2.5 56.4 1.0 CG A:ASP87 3.0 33.4 0.6 OD2 A:ASP87 3.3 35.4 0.6 O A:HOH453 3.3 47.8 1.0 HB2 A:ASP87 3.6 37.8 0.4 O A:HOH319 4.0 55.1 0.4 HA A:ASP87 4.4 34.6 0.6 HA A:ASP87 4.4 34.9 0.4 CB A:ASP87 4.4 30.9 0.6 CB A:ASP87 4.4 31.5 0.4 CG A:ASP87 4.7 33.5 0.4 CA A:ASP87 4.8 28.8 0.6 CA A:ASP87 4.8 29.1 0.4 HB3 A:ASP87 4.9 37.1 0.6 HB2 A:ASP87 4.9 37.1 0.6 N A:ASP87 4.9 27.8 0.6 N A:ASP87 4.9 27.9 0.4

Manganese binding site 3 out of 3 in the Dhfr:Nadp+:Fol Complex at 300 K (Crystal 3)


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 300 K (Crystal 3) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn205 b:46.0 occ:0.16 O A:HOH450 1.9 50.1 1.0 O A:HOH457 2.0 53.1 1.0 O A:HOH340 2.2 41.3 1.0 O A:HOH301 2.4 54.6 1.0 HG A:SER77 3.8 24.8 1.0 HB2 A:ASP79 4.3 28.0 1.0 O A:HOH398 4.3 24.8 1.0 OD2 A:ASP79 4.4 37.9 1.0 HB2 A:SER77 4.4 23.0 1.0 OG A:SER77 4.5 20.6 1.0 HB3 A:SER77 4.6 23.0 1.0 CB A:SER77 4.7 19.2 1.0

J.B.Greisman, K.M.Dalton, D.E.Brookner, D.R.Hekstra. Dhfr:Nadp+:Fol Complex at 300 K To Be Published.