Sodium in PDB 3ql0: Crystal Structure of N23PP/S148A Mutant of E. Coli Dihydrofolate Reductase

All present enzymatic activity of Crystal Structure of N23PP/S148A Mutant of E. Coli Dihydrofolate Reductase:
1.5.1.3;

The structure of Crystal Structure of N23PP/S148A Mutant of E. Coli Dihydrofolate Reductase, PDB code: 3ql0 was solved by G.Bhabha, D.C.Ekiert, P.E.Wright, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.63 / 1.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	79.662, 79.662, 71.464, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 24.5

The binding sites of Sodium atom in the Crystal Structure of N23PP/S148A Mutant of E. Coli Dihydrofolate Reductase (pdb code 3ql0). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Crystal Structure of N23PP/S148A Mutant of E. Coli Dihydrofolate Reductase, PDB code: 3ql0:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Crystal Structure of N23PP/S148A Mutant of E. Coli Dihydrofolate Reductase


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of N23PP/S148A Mutant of E. Coli Dihydrofolate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Na162 b:11.3 occ:1.00 O A:HOH255 2.4 27.2 1.0 OD1 A:ASP87 2.6 29.8 1.0 OD2 A:ASP87 2.7 30.7 1.0 CG A:ASP87 3.0 29.1 1.0 NA A:NA164 4.1 33.2 1.0 CB A:ASP87 4.5 26.7 1.0 O A:HOH347 4.7 33.6 1.0

Sodium binding site 2 out of 3 in the Crystal Structure of N23PP/S148A Mutant of E. Coli Dihydrofolate Reductase


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of N23PP/S148A Mutant of E. Coli Dihydrofolate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Na163 b:10.1 occ:1.00 O A:HOH210 2.1 36.9 1.0 O A:HOH209 2.2 26.0 1.0 O A:SER135 2.3 18.2 1.0 O A:HOH170 2.4 20.6 1.0 O A:HOH171 2.5 30.3 1.0 C A:SER135 3.6 17.1 1.0 CA A:VAL136 4.3 15.6 1.0 O A:HOH329 4.3 28.4 1.0 N A:VAL136 4.4 15.8 1.0 O A:HOH328 4.5 35.8 1.0 CA A:SER135 4.6 17.6 1.0 N A:SER135 4.6 19.0 1.0 OE1 A:GLU134 4.6 35.6 1.0 O A:HOH266 4.6 22.6 1.0 CB A:SER135 4.8 18.3 1.0

Sodium binding site 3 out of 3 in the Crystal Structure of N23PP/S148A Mutant of E. Coli Dihydrofolate Reductase


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of N23PP/S148A Mutant of E. Coli Dihydrofolate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Na164 b:33.2 occ:1.00 OD2 A:ASP87 2.4 30.7 1.0 CG A:ASP87 3.6 29.1 1.0 NA A:NA162 4.1 11.3 1.0 CB A:ASP87 4.2 26.7 1.0 N A:ASP87 4.5 23.5 1.0 OD1 A:ASP87 4.6 29.8 1.0

G.Bhabha, J.Lee, D.C.Ekiert, J.Gam, I.A.Wilson, H.J.Dyson, S.J.Benkovic, P.E.Wright. A Dynamic Knockout Reveals That Conformational Fluctuations Influence the Chemical Step of Enzyme Catalysis. Science V. 332 234 2011.
ISSN: ISSN 0036-8075
PubMed: 21474759
DOI: 10.1126/SCIENCE.1198542