Magnesium in PDB 4x2p: P. Putida Mandelate Racemase in Complex with 3-Hydroxypyruvate

All present enzymatic activity of P. Putida Mandelate Racemase in Complex with 3-Hydroxypyruvate:
5.1.2.2;

The structure of P. Putida Mandelate Racemase in Complex with 3-Hydroxypyruvate, PDB code: 4x2p was solved by B.N.Wyatt, M.St.Maurice, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.65
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	123.879, 123.879, 105.301, 90.00, 90.00, 90.00
R / Rfree (%)	14.3 / 17.7

The binding sites of Magnesium atom in the P. Putida Mandelate Racemase in Complex with 3-Hydroxypyruvate (pdb code 4x2p). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the P. Putida Mandelate Racemase in Complex with 3-Hydroxypyruvate, PDB code: 4x2p:

Magnesium binding site 1 out of 1 in the P. Putida Mandelate Racemase in Complex with 3-Hydroxypyruvate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of P. Putida Mandelate Racemase in Complex with 3-Hydroxypyruvate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:2.4 occ:1.00 O A:HOH750 1.7 34.7 1.0 OE2 A:GLU221 1.9 11.9 1.0 O A:HOH726 2.1 14.2 1.0 OE1 A:GLU247 2.1 13.7 1.0 OD2 A:ASP195 2.1 14.8 1.0 O2 A:3PY401 2.4 19.0 0.5 O2 A:3PY401 2.4 19.9 0.5 CD A:GLU221 3.0 9.6 1.0 CD A:GLU247 3.0 11.7 1.0 CG A:ASP195 3.1 12.8 1.0 OE2 A:GLU247 3.3 13.7 1.0 C1 A:3PY401 3.4 26.7 0.5 OD1 A:ASP195 3.4 12.5 1.0 C1 A:3PY401 3.5 28.2 0.5 O A:HOH751 3.7 34.3 1.0 CG A:GLU221 3.7 9.2 1.0 C2 A:3PY401 3.7 27.3 0.5 OD1 A:ASN197 3.8 26.4 0.5 NZ A:LYS164 3.9 9.8 1.0 OE1 A:GLU221 4.0 10.3 1.0 NZ A:LYS166 4.1 27.9 1.0 O A:HOH635 4.1 10.1 1.0 OE1 A:GLU222 4.1 14.1 1.0 C2 A:3PY401 4.1 29.4 0.5 C3 A:3PY401 4.2 32.5 0.5 CB A:ASP195 4.4 11.2 1.0 CG A:GLU247 4.4 9.9 1.0 O1 A:3PY401 4.5 32.8 0.5 O1 A:3PY401 4.5 31.6 0.5 OD1 A:ASN197 4.5 17.3 0.5 CE A:LYS164 4.5 8.9 1.0 CE A:MET268 4.6 9.7 1.0 O4 A:3PY401 4.6 14.1 0.5 CD2 A:HIS297 4.7 11.0 1.0 NE2 A:HIS297 4.7 10.9 1.0 CG A:ASN197 4.8 18.4 0.5 CB A:GLU221 4.8 8.8 1.0 CD A:GLU222 4.9 12.3 1.0 C3 A:3PY401 4.9 31.6 0.5

M.Nagar, B.N.Wyatt, M.St.Maurice, S.L.Bearne. Inactivation of Mandelate Racemase By 3-Hydroxypyruvate Reveals A Potential Mechanistic Link Between Enzyme Superfamilies. Biochemistry V. 54 2747 2015.
ISSN: ISSN 0006-2960
PubMed: 25844917
DOI: 10.1021/ACS.BIOCHEM.5B00221