Manganese in PDB 4nx6: Single Room Temperature Model of Dhfr

All present enzymatic activity of Single Room Temperature Model of Dhfr:
1.5.1.3;

The structure of Single Room Temperature Model of Dhfr, PDB code: 4nx6 was solved by R.B.Fenwick, H.Van Den Bedem, J.S.Fraser, P.E.Wright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.34 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.320, 45.510, 98.910, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 19

The binding sites of Manganese atom in the Single Room Temperature Model of Dhfr (pdb code 4nx6). 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 Single Room Temperature Model of Dhfr, PDB code: 4nx6:

Manganese binding site 1 out of 1 in the Single Room Temperature Model of Dhfr


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Single Room Temperature Model of Dhfr within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn204 b:17.2 occ:1.00 O A:ARG159 2.4 13.5 1.0 O A:HOH302 2.4 13.7 1.0 O A:HOH318 2.4 20.2 1.0 HA A:ARG159 3.5 12.4 1.0 C A:ARG159 3.5 12.2 1.0 CA A:ARG159 4.0 10.4 1.0 HB3 A:ARG159 4.2 17.7 1.0 OXT A:ARG159 4.5 13.4 1.0 O A:HOH439 4.5 31.3 1.0 CB A:ARG159 4.7 14.9 1.0 O A:ARG158 4.8 13.7 1.0

R.B.Fenwick, H.Van Den Bedem, J.S.Fraser, P.E.Wright. Integrated Description of Protein Dynamics From Room-Temperature X-Ray Crystallography and uc(Nmr). Proc.Natl.Acad.Sci.Usa V. 111 E445 2014.
ISSN: ISSN 0027-8424
PubMed: 24474795
DOI: 10.1073/PNAS.1323440111