Nickel in PDB 3hy6: Structure of Human Mthfs with Adp

All present enzymatic activity of Structure of Human Mthfs with Adp:
6.3.3.2;

The structure of Structure of Human Mthfs with Adp, PDB code: 3hy6 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)	46.09 / 2.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	48.511, 145.221, 59.655, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 25.5

The structure of Structure of Human Mthfs with Adp also contains other interesting chemical elements:

Magnesium

(Mg)

12 atoms

The binding sites of Nickel atom in the Structure of Human Mthfs with Adp (pdb code 3hy6). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 3 binding sites of Nickel where determined in the Structure of Human Mthfs with Adp, PDB code: 3hy6:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the Structure of Human Mthfs with Adp


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 Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni204 b:33.0 occ:1.00 NE2 A:HIS89 2.2 33.2 1.0 O A:HOH237 2.2 35.6 1.0 OD2 A:ASP91 2.3 32.3 1.0 O A:HOH225 2.4 29.2 1.0 O A:HOH294 2.5 41.9 1.0 CG A:ASP91 3.0 30.2 1.0 OD1 A:ASP91 3.1 31.4 1.0 CD2 A:HIS89 3.1 32.2 1.0 CE1 A:HIS89 3.2 32.2 1.0 O A:HOH222 3.8 48.1 1.0 O A:HOH229 4.0 29.9 1.0 NH2 A:ARG82 4.3 28.2 1.0 CG A:HIS89 4.3 33.9 1.0 ND1 A:HIS89 4.3 33.2 1.0 OE2 A:GLU122 4.4 34.4 1.0 CB A:ASP91 4.5 27.8 1.0 O A:HOH308 4.6 51.6 1.0 CG A:ARG84 4.8 46.0 1.0 OE1 A:GLU122 4.9 33.8 1.0 CD A:GLU122 5.0 32.5 1.0

Nickel binding site 2 out of 3 in the Structure of Human Mthfs with Adp


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 Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni206 b:57.2 occ:1.00 NE2 A:HIS142 2.2 45.4 1.0 O A:HOH276 2.2 40.8 1.0 O A:HOH324 2.5 54.9 1.0 O A:HOH277 2.6 51.9 1.0 CE1 A:HIS142 2.9 45.6 1.0 CD2 A:HIS142 3.2 43.0 1.0 ND1 A:HIS142 4.0 45.2 1.0 O A:LEU181 4.1 39.7 1.0 CG A:HIS142 4.2 42.2 1.0 O A:HOH310 4.3 39.3 1.0

Nickel binding site 3 out of 3 in the Structure of Human Mthfs with Adp


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Structure of Human Mthfs with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni218 b:63.7 occ:1.00 OE2 A:GLU96 3.6 46.0 1.0 O A:HOH271 4.1 60.2 1.0 CD A:GLU96 4.1 41.9 1.0 OE1 A:GLU96 4.2 44.2 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