Manganese in PDB 2hr6: Crystal Structure of Dutpase in Complex with Substrate Analogue Dudp and Manganese

All present enzymatic activity of Crystal Structure of Dutpase in Complex with Substrate Analogue Dudp and Manganese:
3.6.1.23;

The structure of Crystal Structure of Dutpase in Complex with Substrate Analogue Dudp and Manganese, PDB code: 2hr6 was solved by O.Barabas, J.Kovari, R.Tapai, B.G.Vertessy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.90 / 1.84
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.049, 75.049, 99.936, 90.00, 90.00, 120.00
R / Rfree (%)	15.1 / 17.3

The binding sites of Manganese atom in the Crystal Structure of Dutpase in Complex with Substrate Analogue Dudp and Manganese (pdb code 2hr6). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of Dutpase in Complex with Substrate Analogue Dudp and Manganese, PDB code: 2hr6:

Manganese binding site 1 out of 1 in the Crystal Structure of Dutpase in Complex with Substrate Analogue Dudp and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Dutpase in Complex with Substrate Analogue Dudp and Manganese within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn997 b:23.1 occ:1.00 O1B A:DUD777 2.1 26.8 1.0 O A:HOH1025 2.2 24.7 1.0 O A:HOH1133 2.2 23.5 1.0 O A:HOH1044 2.2 33.3 1.0 O1A A:DUD777 2.2 24.5 1.0 O A:HOH1021 2.3 30.5 1.0 PB A:DUD777 3.2 33.1 1.0 O A:HOH998 3.3 21.8 1.0 PA A:DUD777 3.4 29.1 1.0 O3A A:DUD777 3.6 31.8 1.0 O3B A:DUD777 3.9 45.6 1.0 O A:HOH1104 4.1 44.7 1.0 O2A A:DUD777 4.4 29.9 1.0 O A:HOH1141 4.6 56.2 1.0 O2B A:DUD777 4.6 25.5 1.0 O5' A:DUD777 4.6 27.2 1.0 C5' A:DUD777 4.6 25.2 1.0

J.Kovari, O.Barabas, B.Varga, A.Bekesi, F.Tolgyesi, J.Fidy, J.Nagy, B.G.Vertessy. Methylene Substitution at the Alpha-Beta Bridging Position Within the Phosphate Chain of Dudp Profoundly Perturbs Ligand Accommodation Into the Dutpase Active Site. Proteins V. 71 308 2008.
ISSN: ISSN 0887-3585
PubMed: 17932923
DOI: 10.1002/PROT.21757