Magnesium in PDB 3jxu: Crystal Structure of the Human 70KDA Heat Shock Protein 1A (HSP70-1) Atpase Domain in Complex with Adp and Inorganic Phosphate

The structure of Crystal Structure of the Human 70KDA Heat Shock Protein 1A (HSP70-1) Atpase Domain in Complex with Adp and Inorganic Phosphate, PDB code: 3jxu was solved by M.M.Wisniewska, T.Karlberg, C.H.Arrowsmith, H.Berglund, C.Bountra, R.Collins, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, A.Johansson, I.Johansson, A.Kallas, P.Kraulis, T.Kotenyova, A.Kotzsch, N.Markova, M.Moche, T.K.Nielsen, P.Nordlund, T.Nyman, C.Persson, A.K.Roos, M.I.Siponen, P.Schutz, L.Svensson, A.G.Thorsell, L.Tresaugues, S.Van Denberg, E.Wahlberg, J.Weigelt, M.Welin, H.Schuler, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.54 / 2.14
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.013, 63.298, 144.197, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 26.2

The binding sites of Magnesium atom in the Crystal Structure of the Human 70KDA Heat Shock Protein 1A (HSP70-1) Atpase Domain in Complex with Adp and Inorganic Phosphate (pdb code 3jxu). 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 Crystal Structure of the Human 70KDA Heat Shock Protein 1A (HSP70-1) Atpase Domain in Complex with Adp and Inorganic Phosphate, PDB code: 3jxu:

Magnesium binding site 1 out of 1 in the Crystal Structure of the Human 70KDA Heat Shock Protein 1A (HSP70-1) Atpase Domain in Complex with Adp and Inorganic Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Human 70KDA Heat Shock Protein 1A (HSP70-1) Atpase Domain in Complex with Adp and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg487 b:17.0 occ:1.00 O A:HOH507 2.0 7.8 1.0 O2B A:ADP486 2.0 11.7 1.0 O A:HOH508 2.1 20.8 1.0 O A:HOH588 2.2 9.9 1.0 O2 A:PO4488 2.2 9.4 1.0 O A:HOH548 2.2 8.6 1.0 PB A:ADP486 3.3 15.4 1.0 P A:PO4488 3.5 12.8 1.0 O A:HOH388 3.6 2.9 1.0 O3 A:PO4488 3.7 10.5 1.0 O1B A:ADP486 3.7 14.5 1.0 O1A A:ADP486 4.0 9.5 1.0 OD1 A:ASP199 4.0 11.0 1.0 OD2 A:ASP199 4.1 11.3 1.0 OD2 A:ASP10 4.2 12.4 1.0 OE1 A:GLU175 4.2 16.6 1.0 O1 A:PO4488 4.2 9.9 1.0 O A:HOH446 4.2 14.6 1.0 O3A A:ADP486 4.3 11.7 1.0 O3B A:ADP486 4.4 14.3 1.0 OD1 A:ASP10 4.4 8.1 1.0 CG A:ASP199 4.5 11.2 1.0 O4 A:PO4488 4.6 10.6 1.0 CG A:ASP10 4.7 11.8 1.0 CD A:GLU175 4.8 14.5 1.0 PA A:ADP486 4.8 9.5 1.0 O A:HOH493 4.8 14.7 1.0 O A:HOH490 4.9 9.6 1.0

M.Wisniewska, T.Karlberg, L.Lehtio, I.Johansson, T.Kotenyova, M.Moche, H.Schuler. Crystal Structures of the Atpase Domains of Four Human HSP70 Isoforms: HSPA1L/HSP70-Hom, HSPA2/HSP70-2, HSPA6/HSP70B', and HSPA5/Bip/GRP78 Plos One V. 5 E8625 2010.
ISSN: ESSN 1932-6203
PubMed: 20072699
DOI: 10.1371/JOURNAL.PONE.0008625