Gadolinium in PDB 1mqe: Structure of the Mt-Adprase in Complex with Gadolidium and Adp-Ribose, A Nudix Enzyme

All present enzymatic activity of Structure of the Mt-Adprase in Complex with Gadolidium and Adp-Ribose, A Nudix Enzyme:
3.6.1.13;

The structure of Structure of the Mt-Adprase in Complex with Gadolidium and Adp-Ribose, A Nudix Enzyme, PDB code: 1mqe was solved by L.-W.Kang, S.B.Gabelli, M.A.Bianchet, J.E.Cunningham, S.F.O'handley, L.M.Amzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	64.052, 64.052, 182.212, 90.00, 90.00, 120.00
R / Rfree (%)	20.5 / 26.6

The binding sites of Gadolinium atom in the Structure of the Mt-Adprase in Complex with Gadolidium and Adp-Ribose, A Nudix Enzyme (pdb code 1mqe). This binding sites where shown within 5.0 Angstroms radius around Gadolinium atom.
In total only one binding site of Gadolinium was determined in the Structure of the Mt-Adprase in Complex with Gadolidium and Adp-Ribose, A Nudix Enzyme, PDB code: 1mqe:

Gadolinium binding site 1 out of 1 in the Structure of the Mt-Adprase in Complex with Gadolidium and Adp-Ribose, A Nudix Enzyme


Mono view


Stereo pair view

A full contact list of Gadolinium with other atoms in the Gd binding site number 1 of Structure of the Mt-Adprase in Complex with Gadolidium and Adp-Ribose, A Nudix Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Gd301 b:69.0 occ:0.50 O1A A:APR208 2.4 52.2 1.0 O A:HOH303 2.6 58.6 1.0 OE2 A:GLU93 2.6 51.7 1.0 O A:HOH302 2.9 58.1 1.0 PA A:APR208 3.6 44.5 1.0 CD A:GLU93 3.7 44.6 1.0 O2A A:APR208 4.0 44.1 1.0 OE1 A:GLU97 4.0 59.0 1.0 OE1 A:GLU93 4.1 44.7 1.0 OE2 A:GLU97 4.2 63.5 1.0 O A:HOH379 4.4 55.6 1.0 O5' A:APR208 4.4 48.1 1.0 O A:ALA76 4.4 26.7 1.0 CD A:GLU97 4.5 60.4 1.0 O A:HOH361 4.7 46.4 1.0 O3A A:APR208 4.8 45.1 1.0 O A:HOH358 4.9 34.1 1.0 CG A:GLU93 4.9 42.2 1.0 C5' A:APR208 5.0 50.9 1.0

L.-W.Kang, S.B.Gabelli, J.E.Cunningham, S.F.O'handley, L.M.Amzel. Structure and Mechanism of Mt-Adprase, A Nudix Hydrolase From Mycobacterium Tuberculosis Structure V. 11 1015 2003.
ISSN: ISSN 0969-2126
PubMed: 12906832
DOI: 10.1016/S0969-2126(03)00154-0