Nickel in PDB 3hy4: Structure of Human Mthfs with N5-Iminium Phosphate

All present enzymatic activity of Structure of Human Mthfs with N5-Iminium Phosphate:
6.3.3.2;

The structure of Structure of Human Mthfs with N5-Iminium Phosphate, PDB code: 3hy4 was solved by D.Wu, Y.Li, G.Song, C.Cheng, N.Shaw, Z.-J.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.32 / 2.79
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	48.065, 144.583, 60.149, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 30

The structure of Structure of Human Mthfs with N5-Iminium Phosphate also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Nickel atom in the Structure of Human Mthfs with N5-Iminium Phosphate (pdb code 3hy4). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Structure of Human Mthfs with N5-Iminium Phosphate, PDB code: 3hy4:

Nickel binding site 1 out of 1 in the Structure of Human Mthfs with N5-Iminium Phosphate


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Structure of Human Mthfs with N5-Iminium Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni204 b:34.7 occ:1.00 OD2 A:ASP91 2.3 29.0 1.0 NE2 A:HIS89 2.5 24.9 1.0 O A:HOH250 2.7 26.2 1.0 CG A:ASP91 3.0 26.7 1.0 OD1 A:ASP91 3.1 26.8 1.0 CD2 A:HIS89 3.2 27.9 1.0 NH2 A:ARG82 3.4 26.8 1.0 O A:HOH209 3.6 22.7 1.0 CE1 A:HIS89 3.7 28.5 1.0 OE2 A:GLU122 4.0 26.0 1.0 CB A:ASP91 4.2 24.1 1.0 CG A:HIS89 4.4 28.9 1.0 CZ A:ARG82 4.6 21.3 1.0 ND1 A:HIS89 4.6 27.7 1.0 N A:ASP91 4.8 24.8 1.0 O A:HOH221 4.9 20.6 1.0 CD A:ARG84 4.9 37.0 1.0 CD A:GLU122 4.9 28.2 1.0

D.Wu, Y.Li, G.Song, C.Cheng, R.Zhang, A.Joachimiak, N.Shaw, Z.-J.Liu. Structural Basis For the Inhibition of Human 5,10-Methenyltetrahydrofolate Synthetase By N10-Substituted Folate Analogues Cancer Res. V. 69 7294 2009.
ISSN: ISSN 0008-5472
PubMed: 19738041
DOI: 10.1158/0008-5472.CAN-09-1927