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Manganese in PDB 2ano: Crystal Structure of E.Coli Dihydrofolate Reductase in Complex with Nadph and the Inhibitor Ms-SH08-17

Enzymatic activity of Crystal Structure of E.Coli Dihydrofolate Reductase in Complex with Nadph and the Inhibitor Ms-SH08-17

All present enzymatic activity of Crystal Structure of E.Coli Dihydrofolate Reductase in Complex with Nadph and the Inhibitor Ms-SH08-17:
1.5.1.3;

Protein crystallography data

The structure of Crystal Structure of E.Coli Dihydrofolate Reductase in Complex with Nadph and the Inhibitor Ms-SH08-17, PDB code: 2ano was solved by R.L.Summerfield, D.M.Daigle, S.Mayer, S.G.Jackson, M.Organ, D.W.Hughes, E.D.Brown, M.S.Junop, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.00 / 2.68
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 34.130, 44.140, 97.784, 90.00, 90.00, 90.00
R / Rfree (%) 23.7 / 25

Other elements in 2ano:

The structure of Crystal Structure of E.Coli Dihydrofolate Reductase in Complex with Nadph and the Inhibitor Ms-SH08-17 also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of E.Coli Dihydrofolate Reductase in Complex with Nadph and the Inhibitor Ms-SH08-17 (pdb code 2ano). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of E.Coli Dihydrofolate Reductase in Complex with Nadph and the Inhibitor Ms-SH08-17, PDB code: 2ano:

Manganese binding site 1 out of 1 in 2ano

Go back to Manganese Binding Sites List in 2ano
Manganese binding site 1 out of 1 in the Crystal Structure of E.Coli Dihydrofolate Reductase in Complex with Nadph and the Inhibitor Ms-SH08-17


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of E.Coli Dihydrofolate Reductase in Complex with Nadph and the Inhibitor Ms-SH08-17 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn300

b:42.7
occ:1.00
O A:HOH1002 2.5 38.0 1.0
O A:ARG159 2.7 38.5 1.0
C A:ARG159 3.7 33.6 1.0
CA A:ARG159 4.0 32.3 1.0
O A:HOH1101 4.1 87.8 1.0
CB A:ARG159 4.6 32.9 1.0
OXT A:ARG159 4.7 38.5 1.0
O A:ARG158 4.9 28.5 1.0

Reference:

R.L.Summerfield, D.M.Daigle, S.Mayer, D.Mallik, D.W.Hughes, S.G.Jackson, M.Sulek, M.G.Organ, E.D.Brown, M.S.Junop. A 2.13 A Structure of E. Coli Dihydrofolate Reductase Bound to A Novel Competitive Inhibitor Reveals A New Binding Surface Involving the M20 Loop Region J.Med.Chem. V. 49 6977 2006.
ISSN: ISSN 0022-2623
PubMed: 17125251
DOI: 10.1021/JM060570V
Page generated: Sat Oct 5 13:27:50 2024

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