Magnesium in PDB 3iil: The Structure of Hcinap-Mgadp-Pi Complex at 2.0 Angstroms Resolution

All present enzymatic activity of The Structure of Hcinap-Mgadp-Pi Complex at 2.0 Angstroms Resolution:
2.7.4.3;

The structure of The Structure of Hcinap-Mgadp-Pi Complex at 2.0 Angstroms Resolution, PDB code: 3iil was solved by S.E.Zographos, C.E.Drakou, D.D.Leonidas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.52 / 2.00
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	99.173, 99.173, 58.048, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 19.3

The binding sites of Magnesium atom in the The Structure of Hcinap-Mgadp-Pi Complex at 2.0 Angstroms Resolution (pdb code 3iil). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the The Structure of Hcinap-Mgadp-Pi Complex at 2.0 Angstroms Resolution, PDB code: 3iil:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the The Structure of Hcinap-Mgadp-Pi Complex at 2.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of Hcinap-Mgadp-Pi Complex at 2.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg175 b:78.5 occ:1.00 O A:GLU-1 2.3 25.8 1.0 O A:HOH351 2.6 35.1 1.0 C A:GLU-1 3.4 25.6 1.0 N A:GLU-1 3.5 26.5 1.0 O A:HOH338 3.6 27.3 1.0 N A:PRO-2 3.6 26.8 1.0 C A:PRO-2 3.6 26.8 1.0 O A:HOH361 3.8 36.2 1.0 CA A:GLU-1 3.9 26.3 1.0 CA A:PRO-2 4.0 26.9 1.0 CG A:MET1 4.1 19.8 1.0 O A:PRO-2 4.1 26.8 1.0 CB A:GLU-1 4.3 26.6 1.0 N A:PHE0 4.5 24.3 1.0 N A:MET1 4.7 19.6 1.0 CD A:PRO-2 4.8 27.1 1.0 C A:PHE0 4.8 21.6 1.0 CB A:PHE0 4.9 23.5 1.0 CA A:PHE0 4.9 23.1 1.0 SD A:MET1 5.0 22.8 1.0

Magnesium binding site 2 out of 3 in the The Structure of Hcinap-Mgadp-Pi Complex at 2.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structure of Hcinap-Mgadp-Pi Complex at 2.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg176 b:96.9 occ:1.00 O A:HOH363 2.7 19.9 1.0 O A:HOH364 3.6 38.2 1.0 O A:HOH365 4.1 53.4 1.0

Magnesium binding site 3 out of 3 in the The Structure of Hcinap-Mgadp-Pi Complex at 2.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Structure of Hcinap-Mgadp-Pi Complex at 2.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg177 b:36.6 occ:1.00 O A:HOH206 2.1 17.7 1.0 O3B A:ADP174 2.1 27.4 1.0 OG1 A:THR17 2.2 15.9 1.0 O A:HOH221 2.2 22.8 1.0 O A:HOH220 2.2 16.7 1.0 O A:HOH213 2.2 23.9 1.0 CB A:THR17 3.2 15.7 1.0 PB A:ADP174 3.3 26.3 1.0 O2B A:ADP174 3.4 26.4 1.0 O1 A:PO4178 3.7 34.5 1.0 ND2 A:ASN33 3.9 17.5 1.0 O2A A:ADP174 4.0 29.4 1.0 OD1 A:ASP77 4.0 13.3 1.0 N A:THR17 4.1 15.4 1.0 O A:HOH371 4.2 32.4 1.0 CG2 A:THR17 4.2 15.6 1.0 O A:HOH347 4.3 42.5 1.0 CA A:THR17 4.3 15.6 1.0 O A:HOH246 4.3 22.8 1.0 O3A A:ADP174 4.3 28.3 1.0 O1B A:ADP174 4.4 25.2 1.0 OD2 A:ASP77 4.4 11.9 1.0 PA A:ADP174 4.5 31.0 1.0 O2 A:PO4178 4.6 31.1 1.0 O A:HOH209 4.7 39.9 1.0 CG A:ASP77 4.7 13.4 1.0 NH1 A:ARG109 4.7 25.3 1.0 P A:PO4178 4.8 34.1 1.0 O1A A:ADP174 4.8 31.1 1.0

C.E.Drakou, A.Malekkou, J.M.Hayes, C.W.Lederer, D.D.Leonidas, N.G.Oikonomakos, A.I.Lamond, N.Santama, S.E.Zographos. Hcinap Is An Atypical Mammalian Nuclear Adenylate Kinase with An Atpase Motif: Structural and Functional Studies. Proteins V. 80 206 2012.
ISSN: ISSN 0887-3585
PubMed: 22038794
DOI: 10.1002/PROT.23186