Calcium in PDB 3iuc: Crystal Structure of the Human 70KDA Heat Shock Protein 5 (Bip/GRP78) Atpase Domain in Complex with Adp

The structure of Crystal Structure of the Human 70KDA Heat Shock Protein 5 (Bip/GRP78) Atpase Domain in Complex with Adp, PDB code: 3iuc was solved by 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, T.Kotyenova, A.Kotzch, P.Kraulis, N.Markova, M.Moche, T.K.Nielsen, P.Nordlund, T.Nyman, C.Persson, A.Roos, P.Schutz, M.I.Siponen, L.Svensson, A.G.Thorsell, L.Tresaugues, S.Van Den Berg, 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)	29.12 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.212, 51.795, 94.994, 98.85, 94.88, 117.61
R / Rfree (%)	19 / 27

The binding sites of Calcium atom in the Crystal Structure of the Human 70KDA Heat Shock Protein 5 (Bip/GRP78) Atpase Domain in Complex with Adp (pdb code 3iuc). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of the Human 70KDA Heat Shock Protein 5 (Bip/GRP78) Atpase Domain in Complex with Adp, PDB code: 3iuc:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of the Human 70KDA Heat Shock Protein 5 (Bip/GRP78) Atpase Domain in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Human 70KDA Heat Shock Protein 5 (Bip/GRP78) Atpase Domain in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2 b:13.9 occ:1.00 O C:HOH526 2.3 20.7 1.0 O A:HIS252 2.4 14.4 1.0 O A:HOH443 2.4 5.9 1.0 O C:GLY315 2.4 15.5 1.0 OD1 A:ASP257 2.5 13.2 1.0 O A:HOH544 2.5 13.6 1.0 OD2 A:ASP257 2.5 11.2 1.0 CG A:ASP257 2.9 13.4 1.0 C C:GLY315 3.4 17.0 1.0 C A:HIS252 3.6 14.0 1.0 CA C:GLY315 3.8 16.9 1.0 CB A:HIS252 4.3 14.6 1.0 CB A:ASP257 4.4 13.2 1.0 CA A:HIS252 4.5 14.6 1.0 N A:LEU253 4.5 12.6 1.0 CA A:LEU253 4.5 11.9 1.0 OD1 C:ASP317 4.6 23.5 1.0 OG C:SER311 4.6 17.6 1.0 N C:GLU316 4.6 17.2 1.0 N A:GLY254 4.8 11.6 1.0 OE1 A:GLU256 4.8 28.4 1.0 O A:GLY228 4.9 13.4 1.0 N A:ASP257 4.9 13.8 1.0 CA A:ASP257 4.9 13.7 1.0 O A:HOH611 5.0 33.5 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of the Human 70KDA Heat Shock Protein 5 (Bip/GRP78) Atpase Domain in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Human 70KDA Heat Shock Protein 5 (Bip/GRP78) Atpase Domain in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca411 b:24.2 occ:1.00 O A:HOH442 2.3 15.5 1.0 O1B A:ADP1 2.3 12.4 1.0 O1A A:ADP1 2.3 11.3 1.0 O A:HOH528 2.5 15.8 1.0 O A:HOH620 2.5 21.9 1.0 O A:HOH532 2.6 17.0 1.0 O A:HOH464 2.6 18.0 1.0 PB A:ADP1 3.5 11.2 1.0 PA A:ADP1 3.6 9.5 1.0 O3A A:ADP1 3.7 9.5 1.0 O A:HOH453 3.7 25.7 1.0 OD2 A:ASP34 4.0 15.6 1.0 O A:HOH605 4.1 2.0 1.0 O2B A:ADP1 4.1 5.7 1.0 OD1 A:ASP224 4.3 20.7 1.0 CA A:GLY363 4.4 17.1 1.0 O2A A:ADP1 4.5 12.6 1.0 O A:HOH497 4.5 25.7 1.0 OD1 A:ASP34 4.7 15.4 1.0 O5' A:ADP1 4.7 7.0 1.0 O3B A:ADP1 4.8 9.2 1.0 CG A:ASP34 4.8 16.0 1.0 CA A:GLY226 4.9 10.6 1.0 O A:HOH480 4.9 20.9 1.0 OD2 A:ASP224 4.9 19.2 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of the Human 70KDA Heat Shock Protein 5 (Bip/GRP78) Atpase Domain in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the Human 70KDA Heat Shock Protein 5 (Bip/GRP78) Atpase Domain in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca411 b:15.0 occ:1.00 OD2 C:ASP257 2.3 10.1 1.0 O C:HOH452 2.4 29.7 1.0 O C:HIS252 2.4 13.7 1.0 O C:HOH551 2.5 13.4 1.0 OD1 C:ASP257 2.5 9.1 1.0 CG C:ASP257 2.8 11.2 1.0 C C:HIS252 3.6 13.6 1.0 CB C:ASP257 4.3 10.7 1.0 CB C:HIS252 4.3 13.7 1.0 CA C:HIS252 4.4 13.9 1.0 N C:LEU253 4.5 13.1 1.0 CA C:LEU253 4.6 12.9 1.0 N C:ASP257 4.9 10.8 1.0 CA C:ASP257 4.9 11.0 1.0 N C:GLY254 5.0 13.2 1.0 O C:GLY228 5.0 12.7 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of the Human 70KDA Heat Shock Protein 5 (Bip/GRP78) Atpase Domain in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the Human 70KDA Heat Shock Protein 5 (Bip/GRP78) Atpase Domain in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca412 b:19.1 occ:1.00 O1B C:ADP1 2.3 17.4 1.0 O1A C:ADP1 2.3 15.6 1.0 O C:HOH419 2.5 9.5 1.0 O C:HOH500 2.5 25.7 1.0 O C:HOH560 2.6 25.2 1.0 O C:HOH443 2.6 8.7 1.0 O C:HOH601 2.6 17.7 1.0 PB C:ADP1 3.3 15.8 1.0 O3A C:ADP1 3.4 16.2 1.0 PA C:ADP1 3.5 14.4 1.0 O C:HOH510 3.5 20.4 1.0 O2B C:ADP1 4.0 15.9 1.0 OD1 C:ASP224 4.1 22.7 1.0 OD2 C:ASP34 4.2 21.1 1.0 CA C:GLY363 4.4 13.6 1.0 O C:HOH466 4.5 12.9 1.0 O C:HOH430 4.5 9.7 1.0 O2A C:ADP1 4.5 11.9 1.0 O3B C:ADP1 4.6 18.1 1.0 O5' C:ADP1 4.6 15.2 1.0 O C:HOH469 4.8 10.3 1.0 CA C:GLY226 4.8 11.9 1.0 OD1 C:ASP34 4.8 16.0 1.0 CG C:ASP34 5.0 17.1 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