Manganese in PDB 7lvc: E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature

All present enzymatic activity of E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature:
1.5.1.3;

The structure of E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature, PDB code: 7lvc was solved by J.B.Greisman, K.M.Dalton, D.R.Hekstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.52 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.297, 45.552, 99.035, 90, 90, 90
R / Rfree (%)	13.9 / 17.2

The binding sites of Manganese atom in the E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature (pdb code 7lvc). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 5 binding sites of Manganese where determined in the E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature, PDB code: 7lvc:
Jump to Manganese binding site number: 1; 2; 3; 4; 5;

Manganese binding site 1 out of 5 in the E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn203 b:19.6 occ:1.00 O A:ASP116 2.2 14.5 0.5 O A:ASP116 2.2 14.1 0.5 O A:HOH399 2.3 41.4 1.0 ND1 A:HIS149 2.3 18.3 1.0 O A:HOH387 2.4 17.1 1.0 CE1 A:HIS149 3.1 24.2 1.0 HA A:ALA117 3.1 16.9 1.0 HE1 A:HIS149 3.2 29.1 1.0 C A:ASP116 3.4 14.0 0.5 HB3 A:HIS149 3.4 16.9 1.0 C A:ASP116 3.4 14.1 0.5 CG A:HIS149 3.4 17.9 1.0 HA A:HIS149 3.7 16.2 1.0 CB A:HIS149 3.8 14.0 1.0 CA A:ALA117 3.9 14.0 1.0 HB3 A:ASP116 4.0 14.6 0.5 HB2 A:ALA117 4.0 24.4 1.0 OD2 A:ASP116 4.1 19.1 0.5 N A:ALA117 4.1 12.2 1.0 CG A:ASP116 4.2 16.5 0.5 HB3 A:ASP116 4.2 14.7 0.5 HB2 A:ASP116 4.3 14.7 0.5 NE2 A:HIS149 4.3 29.0 1.0 CA A:HIS149 4.3 13.4 1.0 CB A:ASP116 4.4 12.1 0.5 CB A:ALA117 4.4 20.3 1.0 CD2 A:HIS149 4.4 18.4 1.0 H A:SER150 4.5 17.3 1.0 CA A:ASP116 4.5 12.2 0.5 CA A:ASP116 4.6 12.2 0.5 CB A:ASP116 4.6 12.2 0.5 HB1 A:ALA117 4.7 24.4 1.0 OD1 A:ASP116 4.7 19.2 0.5 HB2 A:HIS149 4.7 16.9 1.0 O A:SER148 4.8 21.9 1.0 H A:GLU118 4.8 21.5 0.5 H A:GLU118 4.8 21.5 0.5 H A:ALA117 4.9 14.7 0.5 H A:ALA117 4.9 14.7 0.5

Manganese binding site 2 out of 5 in the E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn204 b:37.2 occ:0.52 OD1 A:ASP79 2.7 35.0 1.0 HZ2 A:LYS106 3.0 32.9 0.5 OD2 A:ASP79 3.0 44.9 1.0 CG A:ASP79 3.1 27.4 1.0 HZ1 A:LYS106 3.2 33.0 0.5 HE3 A:LYS106 3.3 31.9 0.5 O A:HOH317 3.5 16.4 1.0 HE2 A:LYS106 3.6 33.2 0.5 NZ A:LYS106 3.8 27.4 0.5 HG12 A:VAL78 3.9 15.7 1.0 NZ A:LYS106 3.9 27.4 0.5 CE A:LYS106 3.9 26.5 0.5 HE2 A:LYS106 3.9 31.9 0.5 CE A:LYS106 4.0 27.6 0.5 HZ1 A:LYS106 4.0 32.9 0.5 HE3 A:LYS106 4.1 33.2 0.5 HB A:VAL78 4.1 14.7 1.0 HZ2 A:LYS106 4.3 33.0 0.5 H A:ASP79 4.4 10.7 1.0 HZ3 A:LYS106 4.4 32.9 0.5 HZ3 A:LYS106 4.5 33.0 0.5 CB A:ASP79 4.6 16.1 1.0 CG1 A:VAL78 4.6 13.1 1.0 HG11 A:VAL78 4.6 15.7 1.0 N A:ASP79 4.7 8.9 1.0 HA A:ASP79 4.8 13.6 1.0 CB A:VAL78 4.8 12.2 1.0 O A:HOH306 4.9 33.7 1.0 HB2 A:ASP79 4.9 19.4 1.0 CA A:ASP79 5.0 11.3 1.0

Manganese binding site 3 out of 5 in the E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn205 b:40.5 occ:1.00 OD1 A:ASP87 2.4 37.0 1.0 CG A:ASP87 3.2 43.7 1.0 OD2 A:ASP87 3.2 66.0 1.0 O A:HOH403 3.8 33.4 1.0 CB A:ASP87 4.6 24.1 1.0 HA A:ASP87 4.6 31.3 1.0

Manganese binding site 4 out of 5 in the E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn206 b:36.9 occ:0.64 O A:HOH404 3.1 39.2 1.0 OD2 A:ASP11 3.4 27.6 1.0 CG A:ASP11 4.5 37.2 1.0 OD1 A:ASP11 4.9 27.8 1.0 OE2 A:GLU118 4.9 36.2 0.5

Manganese binding site 5 out of 5 in the E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn207 b:52.8 occ:0.64 O A:HOH402 2.4 25.9 0.5 HG3 A:GLU101 3.6 22.7 0.6 OE2 A:GLU101 3.9 30.7 0.6 H A:ASP127 4.0 18.8 1.0 O A:HOH358 4.2 25.4 1.0 HB3 A:PRO126 4.3 21.1 1.0 HB3 A:ASP127 4.3 27.2 1.0 O A:ASP127 4.3 41.9 1.0 CG A:GLU101 4.4 18.9 0.6 O A:HOH402 4.4 25.9 0.5 HG2 A:GLU101 4.5 22.7 0.6 HG2 A:GLU101 4.5 15.9 0.4 CD A:GLU101 4.6 26.3 0.6 N A:ASP127 4.6 15.6 1.0 HB2 A:PRO126 4.7 21.1 1.0 HA A:PRO126 4.8 13.0 1.0 CB A:PRO126 4.9 17.6 1.0

J.B.Greisman, K.M.Dalton, D.R.Hekstra. E. Coli Dhfr By Native Mn,P,S-Sad at Room Temperature To Be Published.