Manganese in PDB 3gdq: Crystal Structure of the Human 70KDA Heat Shock Protein 1-Like Atpase Domain in Complex with Adp and Inorganic Phosphate

The structure of Crystal Structure of the Human 70KDA Heat Shock Protein 1-Like Atpase Domain in Complex with Adp and Inorganic Phosphate, PDB code: 3gdq was solved by M.Wisniewska, M.Moche, C.H.Arrowsmith, H.Berglund, C.Bountra, R.Collins, L.G.Dahlgren, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, A.Johansson, I.Johansson, T.Karlberg, T.Kotenyova, L.Lehtio, M.E.Nilsson, P.Nordlund, T.Nyman, C.Persson, J.Sagemark, P.Schutz, M.Siponen, A.G.Thorsell, L.Tresaugues, S.Van Den Berg, J.Weigelt, M.Welin, H.Schueler, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.83 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.070, 70.700, 97.500, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20.2

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

Manganese binding site 1 out of 1 in the Crystal Structure of the Human 70KDA Heat Shock Protein 1-Like Atpase Domain in Complex with Adp and Inorganic Phosphate


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 the Human 70KDA Heat Shock Protein 1-Like Atpase Domain in Complex with Adp and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn390 b:10.9 occ:1.00 O1B A:ADP388 2.1 9.3 1.0 O2 A:PO4387 2.1 9.9 1.0 O A:HOH448 2.2 11.7 1.0 O A:HOH418 2.2 11.5 1.0 O A:HOH462 2.3 12.7 1.0 O A:HOH447 2.3 16.5 1.0 PB A:ADP388 3.3 9.6 1.0 P A:PO4387 3.3 11.2 1.0 O3B A:ADP388 3.5 11.2 1.0 O A:HOH681 3.5 3.0 1.0 O3 A:PO4387 3.5 11.6 1.0 O1A A:ADP388 4.0 10.4 1.0 O1 A:PO4387 4.2 11.2 1.0 OD2 A:ASP201 4.2 17.6 1.0 O A:HOH528 4.2 16.9 1.0 OD1 A:ASP201 4.2 16.0 1.0 O3A A:ADP388 4.3 10.9 1.0 OE1 A:GLU177 4.3 12.7 1.0 OD2 A:ASP12 4.3 12.0 1.0 OD1 A:ASP12 4.4 10.2 1.0 O2B A:ADP388 4.4 9.8 1.0 O4 A:PO4387 4.5 12.8 1.0 CG A:ASP201 4.7 15.8 1.0 CG A:ASP12 4.8 10.3 1.0 PA A:ADP388 4.8 9.9 1.0 CD A:GLU177 4.9 12.1 1.0 O A:HOH427 4.9 12.0 1.0 O A:HOH457 5.0 12.1 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