Nickel in PDB 3hy3: Structure of Human Mthfs with 10-Formyltetrahydrofolate

All present enzymatic activity of Structure of Human Mthfs with 10-Formyltetrahydrofolate:
6.3.3.2;

The structure of Structure of Human Mthfs with 10-Formyltetrahydrofolate, PDB code: 3hy3 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)	46.30 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	48.861, 144.974, 59.408, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 23.2

The structure of Structure of Human Mthfs with 10-Formyltetrahydrofolate also contains other interesting chemical elements:

Magnesium

(Mg)

9 atoms

The binding sites of Nickel atom in the Structure of Human Mthfs with 10-Formyltetrahydrofolate (pdb code 3hy3). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Structure of Human Mthfs with 10-Formyltetrahydrofolate, PDB code: 3hy3:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Structure of Human Mthfs with 10-Formyltetrahydrofolate


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 10-Formyltetrahydrofolate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni204 b:36.5 occ:1.00 CE1 A:HIS142 2.1 37.9 1.0 O A:HOH290 2.2 30.9 1.0 O A:HOH297 2.3 36.0 1.0 O A:HOH323 2.4 45.3 1.0 O A:HOH344 2.4 36.4 1.0 NE2 A:HIS142 2.8 38.1 1.0 ND1 A:HIS142 3.2 35.4 1.0 OE1 A:GLN182 4.0 43.8 1.0 CD2 A:HIS142 4.0 37.0 1.0 CG A:HIS142 4.2 33.5 1.0 O A:LEU181 4.2 29.2 1.0 CD1 A:LEU181 4.6 34.5 1.0 O A:HOH278 4.8 28.8 1.0

Nickel binding site 2 out of 2 in the Structure of Human Mthfs with 10-Formyltetrahydrofolate


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Structure of Human Mthfs with 10-Formyltetrahydrofolate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni205 b:27.1 occ:1.00 O A:HOH296 2.2 24.9 1.0 OD2 A:ASP91 2.2 14.2 1.0 O A:HOH292 2.3 26.2 1.0 NE2 A:HIS89 2.3 24.5 1.0 CD2 A:HIS89 2.9 20.6 1.0 CG A:ASP91 3.0 16.4 1.0 OD1 A:ASP91 3.3 18.8 1.0 CE1 A:HIS89 3.5 20.1 1.0 O A:HOH216 4.0 30.7 1.0 O A:HOH217 4.1 22.0 1.0 CG A:HIS89 4.2 21.3 1.0 NH2 A:ARG82 4.2 19.2 1.0 OE2 A:GLU122 4.3 29.9 1.0 ND1 A:HIS89 4.4 20.1 1.0 CB A:ASP91 4.4 13.8 1.0 O A:HOH335 4.8 42.3 1.0 OE1 A:GLU122 4.9 28.1 1.0 CD A:GLU122 4.9 25.8 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