Magnesium in PDB 1u3l: Ispf with Mg and Cdp

All present enzymatic activity of Ispf with Mg and Cdp:
4.6.1.12;

The structure of Ispf with Mg and Cdp, PDB code: 1u3l was solved by S.Steinbacher, J.Kaiser, J.Wungsintaweekul, S.Hechst, W.Eisenreich, S.Gerhardt, A.Bacher, F.Rohdich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.50
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	144.660, 144.660, 144.660, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 26

The structure of Ispf with Mg and Cdp also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Magnesium atom in the Ispf with Mg and Cdp (pdb code 1u3l). 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 Ispf with Mg and Cdp, PDB code: 1u3l:

Magnesium binding site 1 out of 1 in the Ispf with Mg and Cdp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ispf with Mg and Cdp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg700 b:50.2 occ:1.00 O2A A:CDP669 2.1 42.8 1.0 O1B A:CDP669 2.1 43.5 1.0 OD2 A:ASP63 3.4 94.4 1.0 PA A:CDP669 3.5 32.5 1.0 PB A:CDP669 3.5 34.0 1.0 O3A A:CDP669 3.9 38.0 1.0 CE1 A:HIS10 4.1 29.2 1.0 O2B A:CDP669 4.4 34.1 1.0 O5' A:CDP669 4.4 34.2 1.0 O1A A:CDP669 4.5 34.5 1.0 CG A:ASP63 4.6 95.1 1.0 O3B A:CDP669 4.6 42.0 1.0 ND1 A:HIS10 4.8 26.8 1.0

S.Steinbacher, J.Kaiser, J.Wungsintaweekul, S.Hechst, W.Eisenreich, S.Gerhardt, A.Bacher, F.Rohdich. Structure of 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase Involved in Mevalonate Independent Biosynthesis of Isoprenoids J.Mol.Biol. V. 316 79 2002.
ISSN: ISSN 0022-2836
PubMed: 11829504
DOI: 10.1006/JMBI.2001.5341