Manganese in PDB 4rgc: 277K Crystal Structure of Escherichia Coli Dihydrofolate Reductase

All present enzymatic activity of 277K Crystal Structure of Escherichia Coli Dihydrofolate Reductase:
1.5.1.3;

The structure of 277K Crystal Structure of Escherichia Coli Dihydrofolate Reductase, PDB code: 4rgc was solved by M.A.Wilson, Q.Wan, B.C.Bennett, C.Dealwis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.36 / 1.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.299, 45.521, 98.711, 90.00, 90.00, 90.00
R / Rfree (%)	10.8 / 13.4

The binding sites of Manganese atom in the 277K Crystal Structure of Escherichia Coli Dihydrofolate Reductase (pdb code 4rgc). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the 277K Crystal Structure of Escherichia Coli Dihydrofolate Reductase, PDB code: 4rgc:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the 277K Crystal Structure of Escherichia Coli Dihydrofolate Reductase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of 277K Crystal Structure of Escherichia Coli Dihydrofolate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn203 b:9.9 occ:0.55 O A:HOH462 2.0 35.3 1.0 ND1 A:HIS149 2.1 15.1 0.6 O A:HOH458 2.1 27.8 1.0 O A:ASP116 2.2 11.9 1.0 O A:HOH396 2.3 14.2 1.0 ND1 A:HIS149 2.4 12.5 0.4 CE1 A:HIS149 2.9 16.7 0.6 CG A:HIS149 3.3 14.6 0.6 CE1 A:HIS149 3.3 12.8 0.4 C A:ASP116 3.4 10.3 1.0 CG A:HIS149 3.4 12.7 0.4 CB A:HIS149 3.8 13.1 0.4 CB A:HIS149 3.8 12.6 0.6 CA A:ALA117 3.9 11.9 1.0 N A:ALA117 4.1 11.6 1.0 NE2 A:HIS149 4.1 18.0 0.6 CA A:HIS149 4.2 12.0 0.4 O A:HOH465 4.2 36.0 1.0 CA A:HIS149 4.3 11.2 0.6 CD2 A:HIS149 4.3 16.2 0.6 NE2 A:HIS149 4.5 13.7 0.4 CB A:ASP116 4.5 11.1 1.0 CD2 A:HIS149 4.5 14.6 0.4 CB A:ALA117 4.6 15.5 1.0 CA A:ASP116 4.6 10.3 1.0 O A:SER148 4.8 20.8 1.0

Manganese binding site 2 out of 2 in the 277K Crystal Structure of Escherichia Coli Dihydrofolate Reductase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of 277K Crystal Structure of Escherichia Coli Dihydrofolate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn204 b:16.1 occ:0.27 O A:HOH461 2.1 63.0 1.0 OE2 A:GLU154 2.2 19.1 1.0 O A:HOH459 2.6 40.6 1.0 CD A:GLU154 3.2 13.7 1.0 OE1 A:GLU154 3.4 17.7 1.0 CB A:SER135 4.1 15.7 1.0 OG A:SER135 4.2 18.8 1.0 O A:HOH390 4.4 29.7 1.0 CD2 A:LEU156 4.4 19.0 0.4 CG A:GLU154 4.5 13.3 1.0 CD2 A:LEU156 4.7 16.6 0.6 O A:HOH439 4.8 53.7 1.0 O A:HOH348 4.9 30.8 1.0

Q.Wan, B.C.Bennett, M.A.Wilson, A.Kovalevsky, P.Langan, E.E.Howell, C.Dealwis. 277K Crystal Structure of Escherichia Coli Dihydrofolate Reductase To Be Published.