Magnesium in PDB 3fe1: Crystal Structure of the Human 70KDA Heat Shock Protein 6 (HSP70B') Atpase Domain in Complex with Adp and Inorganic Phosphate

The structure of Crystal Structure of the Human 70KDA Heat Shock Protein 6 (HSP70B') Atpase Domain in Complex with Adp and Inorganic Phosphate, PDB code: 3fe1 was solved by M.Wisniewska, L.Lehtio, 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, M.Moche, M.E.Nilsson, P.Nordlund, T.Nyman, C.Persson, J.Sagemark, M.I.Siponen, A.G.Thorsell, L.Tresaugues, S.Van Den Berg, J.Weigelt, M.Welin, M.Wikstrom, 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)	33.69 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	236.450, 105.400, 73.590, 90.00, 101.04, 90.00
R / Rfree (%)	19.9 / 23.8

The structure of Crystal Structure of the Human 70KDA Heat Shock Protein 6 (HSP70B') Atpase Domain in Complex with Adp and Inorganic Phosphate also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of the Human 70KDA Heat Shock Protein 6 (HSP70B') Atpase Domain in Complex with Adp and Inorganic Phosphate (pdb code 3fe1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of the Human 70KDA Heat Shock Protein 6 (HSP70B') Atpase Domain in Complex with Adp and Inorganic Phosphate, PDB code: 3fe1:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of the Human 70KDA Heat Shock Protein 6 (HSP70B') 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 6 (HSP70B') Atpase Domain in Complex with Adp and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg388 b:16.9 occ:1.00 O2B A:ADP386 2.0 19.7 1.0 O A:HOH459 2.0 14.6 1.0 O A:HOH428 2.1 14.0 1.0 O3 A:PO4387 2.1 14.2 1.0 O A:HOH450 2.2 15.6 1.0 O A:HOH495 2.2 24.0 1.0 PB A:ADP386 3.3 18.2 1.0 P A:PO4387 3.3 17.2 1.0 O A:HOH486 3.5 10.0 1.0 O4 A:PO4387 3.5 15.7 1.0 O3B A:ADP386 3.5 21.0 1.0 O2A A:ADP386 3.9 18.6 1.0 O A:HOH474 4.0 29.0 1.0 O1 A:PO4387 4.1 17.1 1.0 OD2 A:ASP201 4.2 23.3 1.0 OD1 A:ASP201 4.2 24.6 1.0 OE1 A:GLU177 4.2 18.7 1.0 OD2 A:ASP12 4.3 18.8 1.0 O3A A:ADP386 4.3 16.4 1.0 OD1 A:ASP12 4.3 14.4 1.0 O1B A:ADP386 4.3 16.6 1.0 O2 A:PO4387 4.5 16.1 1.0 CG A:ASP201 4.6 21.1 1.0 PA A:ADP386 4.7 14.7 1.0 CG A:ASP12 4.7 18.1 1.0 O A:HOH399 4.8 20.8 1.0 CD A:GLU177 4.8 19.0 1.0 O A:HOH485 4.9 16.4 1.0 CA A:GLY14 5.0 14.3 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of the Human 70KDA Heat Shock Protein 6 (HSP70B') 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 2 of Crystal Structure of the Human 70KDA Heat Shock Protein 6 (HSP70B') Atpase Domain in Complex with Adp and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg388 b:19.7 occ:1.00 O2B B:ADP386 2.0 18.1 1.0 O B:HOH394 2.1 22.0 1.0 O B:HOH391 2.1 15.5 1.0 O3 B:PO4387 2.1 15.4 1.0 O B:HOH392 2.1 14.8 1.0 O B:HOH395 2.2 20.0 1.0 PB B:ADP386 3.3 16.0 1.0 O B:HOH393 3.4 6.2 1.0 P B:PO4387 3.4 20.4 1.0 O1 B:PO4387 3.6 18.4 1.0 O3B B:ADP386 3.6 15.4 1.0 O1A B:ADP386 3.9 19.4 1.0 OD2 B:ASP201 4.1 25.2 1.0 O B:HOH430 4.2 26.3 1.0 OD2 B:ASP12 4.2 17.9 1.0 O2 B:PO4387 4.2 18.0 1.0 OE1 B:GLU177 4.2 22.8 1.0 O3A B:ADP386 4.3 15.5 1.0 OD1 B:ASP12 4.4 17.3 1.0 OD1 B:ASP201 4.4 27.0 1.0 O1B B:ADP386 4.4 15.1 1.0 O4 B:PO4387 4.5 16.6 1.0 PA B:ADP386 4.7 18.3 1.0 CG B:ASP201 4.7 24.4 1.0 CG B:ASP12 4.7 20.6 1.0 O B:HOH421 4.7 17.6 1.0 CD B:GLU177 4.9 24.0 1.0 O B:HOH436 4.9 21.5 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of the Human 70KDA Heat Shock Protein 6 (HSP70B') 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 3 of Crystal Structure of the Human 70KDA Heat Shock Protein 6 (HSP70B') Atpase Domain in Complex with Adp and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg388 b:17.7 occ:1.00 O2B C:ADP386 2.0 17.2 1.0 O C:HOH455 2.1 22.1 1.0 O C:HOH488 2.1 23.7 1.0 O2 C:PO4387 2.2 19.5 1.0 O C:HOH437 2.2 13.9 1.0 O C:HOH432 2.3 20.2 1.0 PB C:ADP386 3.3 18.6 1.0 P C:PO4387 3.4 21.4 1.0 O C:HOH394 3.4 7.9 1.0 O4 C:PO4387 3.5 20.0 1.0 O3B C:ADP386 3.6 20.2 1.0 O2A C:ADP386 4.1 16.4 1.0 OD2 C:ASP201 4.1 30.3 1.0 O C:HOH422 4.1 20.4 1.0 O3A C:ADP386 4.2 16.5 1.0 O3 C:PO4387 4.2 19.8 1.0 OD1 C:ASP201 4.3 27.1 1.0 OD2 C:ASP12 4.3 17.7 1.0 OD1 C:ASP12 4.3 17.3 1.0 OE1 C:GLU177 4.4 22.3 1.0 O1B C:ADP386 4.4 16.8 1.0 O1 C:PO4387 4.5 18.6 1.0 CG C:ASP201 4.6 24.9 1.0 CG C:ASP12 4.7 18.6 1.0 PA C:ADP386 4.8 16.2 1.0 O C:HOH489 4.9 16.8 1.0 CD C:GLU177 4.9 20.8 1.0 O C:HOH406 5.0 16.7 1.0

M.Wisniewska, T.Karlberg, L.Lehtio, I.Johansson, T.Kotenyova, M.Moche, H.Schueler. 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