Sodium in PDB 2qwl: Crystal Structure of Bovine HSC70 (1-394AA)in the Adp State

The structure of Crystal Structure of Bovine HSC70 (1-394AA)in the Adp State, PDB code: 2qwl was solved by J.Jiang, E.G.Maes, L.Wang, A.B.Taylor, A.P.Hinck, E.M.Lafer, R.Sousa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.16 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.306, 77.962, 75.320, 90.00, 101.46, 90.00
R / Rfree (%)	17.6 / 20.9

The structure of Crystal Structure of Bovine HSC70 (1-394AA)in the Adp State also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Sodium atom in the Crystal Structure of Bovine HSC70 (1-394AA)in the Adp State (pdb code 2qwl). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the Crystal Structure of Bovine HSC70 (1-394AA)in the Adp State, PDB code: 2qwl:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the Crystal Structure of Bovine HSC70 (1-394AA)in the Adp State


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Bovine HSC70 (1-394AA)in the Adp State within 5.0Å range: probe atom residue distance (Å) B Occ A:Na589 b:8.4 occ:1.00 O3B A:ADP486 2.2 7.9 1.0 O A:HOH690 2.3 8.5 1.0 OD2 A:ASP10 2.4 14.2 1.0 O A:TYR15 2.5 9.3 1.0 O A:HOH722 2.8 9.0 1.0 CG A:ASP10 3.2 12.4 1.0 PB A:ADP486 3.3 8.7 1.0 MG A:MG587 3.4 10.2 1.0 O3A A:ADP486 3.4 6.0 1.0 O A:HOH683 3.4 6.4 1.0 OD1 A:ASP10 3.5 12.9 1.0 C A:TYR15 3.6 9.5 1.0 O1B A:ADP486 3.8 6.7 1.0 PA A:ADP486 3.8 6.4 1.0 O1A A:ADP486 3.9 6.9 1.0 O2A A:ADP486 3.9 4.4 1.0 CA A:GLY12 4.0 9.8 1.0 CB A:TYR15 4.4 10.2 1.0 N A:SER16 4.5 9.1 1.0 CA A:TYR15 4.5 9.4 1.0 O A:HOH612 4.5 4.6 1.0 CA A:SER16 4.5 9.1 1.0 CB A:ASP10 4.5 11.0 1.0 N A:GLY12 4.5 9.9 1.0 O A:ASP366 4.5 11.4 1.0 O A:HOH654 4.6 9.4 1.0 O2B A:ADP486 4.6 10.2 1.0 N A:TYR15 4.7 8.6 1.0 O A:HOH645 4.9 6.0 1.0 O A:ASP10 4.9 10.3 1.0 C A:SER16 4.9 8.9 1.0 O A:HOH596 5.0 10.6 1.0

Sodium binding site 2 out of 4 in the Crystal Structure of Bovine HSC70 (1-394AA)in the Adp State


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Bovine HSC70 (1-394AA)in the Adp State within 5.0Å range: probe atom residue distance (Å) B Occ A:Na590 b:15.1 occ:1.00 OG1 A:THR204 2.8 10.8 1.0 O A:HOH596 2.9 10.6 1.0 OD2 A:ASP206 3.0 12.9 1.0 OD1 A:ASP199 3.1 11.7 1.0 O A:THR204 3.3 8.3 1.0 CG A:ASP199 3.4 12.8 1.0 O A:ASP199 3.5 9.3 1.0 O A:HOH654 3.7 9.4 1.0 C A:THR204 3.8 8.8 1.0 OD2 A:ASP199 3.8 12.8 1.0 CG A:ASP206 3.9 12.7 1.0 CB A:THR204 3.9 9.3 1.0 N A:GLY201 4.0 9.2 1.0 N A:ASP206 4.1 9.8 1.0 CB A:ASP199 4.1 9.4 1.0 C A:ASP199 4.2 9.9 1.0 O A:HOH686 4.2 8.4 1.0 CB A:ASP206 4.2 10.7 1.0 N A:PHE205 4.3 8.7 1.0 O2B A:ADP486 4.4 10.2 1.0 O A:HOH935 4.4 16.5 1.0 MG A:MG587 4.4 10.2 1.0 CA A:GLY201 4.4 9.7 1.0 CA A:THR204 4.4 8.7 1.0 CA A:PHE205 4.5 9.1 1.0 O A:HOH628 4.6 7.9 1.0 C A:PHE205 4.6 9.3 1.0 CA A:ASP199 4.8 9.6 1.0 N A:LEU200 4.8 9.3 1.0 CA A:ASP206 4.8 10.7 1.0 C A:LEU200 4.8 9.8 1.0 OD1 A:ASP206 4.9 15.1 1.0 CA A:LEU200 5.0 9.5 1.0

Sodium binding site 3 out of 4 in the Crystal Structure of Bovine HSC70 (1-394AA)in the Adp State


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of Bovine HSC70 (1-394AA)in the Adp State within 5.0Å range: probe atom residue distance (Å) B Occ B:Na689 b:6.7 occ:1.00 O B:HOH787 2.3 6.5 1.0 O3B B:ADP486 2.3 5.7 1.0 OD2 B:ASP10 2.4 13.4 1.0 O B:TYR15 2.5 9.2 1.0 O B:HOH904 2.7 11.7 1.0 CG B:ASP10 3.3 12.6 1.0 O3A B:ADP486 3.4 6.1 1.0 PB B:ADP486 3.4 5.4 1.0 MG B:MG687 3.4 6.9 1.0 O B:HOH785 3.5 5.9 1.0 OD1 B:ASP10 3.6 13.6 1.0 C B:TYR15 3.6 9.0 1.0 O1B B:ADP486 3.8 5.3 1.0 PA B:ADP486 3.9 5.8 1.0 O2A B:ADP486 3.9 4.8 1.0 O1A B:ADP486 4.0 4.5 1.0 CA B:GLY12 4.0 9.8 1.0 CB B:TYR15 4.3 9.8 1.0 CA B:TYR15 4.4 9.2 1.0 O B:HOH701 4.4 4.7 1.0 N B:SER16 4.5 9.1 1.0 O B:ASP366 4.5 10.7 1.0 N B:GLY12 4.5 9.6 1.0 CA B:SER16 4.5 9.1 1.0 CB B:ASP10 4.6 11.8 1.0 O B:HOH738 4.6 7.6 1.0 N B:TYR15 4.7 7.9 1.0 O2B B:ADP486 4.7 6.4 1.0 O B:HOH751 4.9 5.8 1.0 O B:ASP10 4.9 10.5 1.0 C B:SER16 4.9 8.6 1.0

Sodium binding site 4 out of 4 in the Crystal Structure of Bovine HSC70 (1-394AA)in the Adp State


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Crystal Structure of Bovine HSC70 (1-394AA)in the Adp State within 5.0Å range: probe atom residue distance (Å) B Occ B:Na690 b:13.2 occ:1.00 O B:HOH691 2.8 9.1 1.0 OD2 B:ASP206 2.9 12.8 1.0 OG1 B:THR204 2.9 10.8 1.0 OD1 B:ASP199 3.2 11.8 1.0 O B:THR204 3.3 9.7 1.0 O B:ASP199 3.5 11.3 1.0 CG B:ASP199 3.5 12.7 1.0 C B:THR204 3.7 9.2 1.0 CG B:ASP206 3.7 11.7 1.0 O B:HOH738 3.8 7.6 1.0 OD2 B:ASP199 3.8 11.5 1.0 CB B:THR204 3.9 9.4 1.0 N B:ASP206 4.1 9.9 1.0 N B:GLY201 4.1 9.7 1.0 CB B:ASP206 4.1 10.9 1.0 O B:HOH828 4.1 6.0 1.0 CB B:ASP199 4.2 11.1 1.0 C B:ASP199 4.2 10.7 1.0 N B:PHE205 4.2 9.1 1.0 O B:HOH818 4.4 10.9 1.0 MG B:MG687 4.4 6.9 1.0 CA B:THR204 4.4 8.6 1.0 CA B:PHE205 4.4 9.6 1.0 O2B B:ADP486 4.4 6.4 1.0 CA B:GLY201 4.5 9.3 1.0 C B:PHE205 4.6 9.4 1.0 O B:HOH715 4.7 7.1 1.0 OD1 B:ASP206 4.7 12.6 1.0 CA B:ASP206 4.8 10.1 1.0 CA B:ASP199 4.8 10.3 1.0 N B:LEU200 4.9 9.8 1.0 C B:LEU200 4.9 10.3 1.0

J.Jiang, E.G.Maes, A.B.Taylor, L.Wang, A.P.Hinck, E.M.Lafer, R.Sousa. Structural Basis of J Cochaperone Binding and Regulation of HSP70. Mol.Cell V. 28 422 2007.
ISSN: ISSN 1097-2765
PubMed: 17996706
DOI: 10.1016/J.MOLCEL.2007.08.022