Potassium in PDB 1bup: T13S Mutant of Bovine 70 Kilodalton Heat Shock Protein

The structure of T13S Mutant of Bovine 70 Kilodalton Heat Shock Protein, PDB code: 1bup was solved by M.C.Sousa, D.B.Mckay, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	143.572, 64.164, 46.236, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 22

The structure of T13S Mutant of Bovine 70 Kilodalton Heat Shock Protein also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Potassium atom in the T13S Mutant of Bovine 70 Kilodalton Heat Shock Protein (pdb code 1bup). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the T13S Mutant of Bovine 70 Kilodalton Heat Shock Protein, PDB code: 1bup:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the T13S Mutant of Bovine 70 Kilodalton Heat Shock Protein


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of T13S Mutant of Bovine 70 Kilodalton Heat Shock Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:K490 b:8.9 occ:1.00 OD2 A:ASP10 2.7 9.1 1.0 O A:TYR15 2.7 9.7 1.0 O A:HOH558 2.7 10.2 1.0 O A:HOH563 2.9 8.9 1.0 O A:HOH562 3.0 7.6 1.0 O2B A:ADP486 3.1 11.8 1.0 O3B A:ADP486 3.1 13.9 1.0 O3A A:ADP486 3.3 9.0 1.0 PB A:ADP486 3.3 9.5 1.0 CG A:ASP10 3.4 11.2 1.0 OD1 A:ASP10 3.5 7.6 1.0 MG A:MG487 3.7 9.0 1.0 C A:TYR15 3.7 9.1 1.0 CA A:GLY12 3.9 8.8 1.0 PA A:ADP486 4.0 11.4 1.0 O2A A:ADP486 4.3 10.9 1.0 N A:GLY12 4.4 8.1 1.0 CB A:TYR15 4.4 12.1 1.0 CA A:TYR15 4.4 10.6 1.0 N A:TYR15 4.5 10.6 1.0 CB A:ASP10 4.6 7.7 1.0 N A:SER16 4.6 7.7 1.0 O A:HOH1102 4.6 10.3 1.0 O A:ASP366 4.6 10.3 1.0 CA A:SER16 4.7 7.7 1.0 O A:HOH573 4.8 8.2 1.0 O1B A:ADP486 4.8 10.7 1.0 O3 A:PO4488 4.9 10.6 1.0 C A:GLY12 4.9 9.7 1.0 O A:ASP10 5.0 8.2 1.0

Potassium binding site 2 out of 2 in the T13S Mutant of Bovine 70 Kilodalton Heat Shock Protein


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of T13S Mutant of Bovine 70 Kilodalton Heat Shock Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:K491 b:10.6 occ:1.00 OG1 A:THR204 2.8 9.3 1.0 O2 A:PO4488 2.8 9.6 1.0 OD2 A:ASP206 2.9 10.9 1.0 O A:HOH560 3.0 10.7 1.0 O A:THR204 3.1 9.2 1.0 OD1 A:ASP199 3.3 10.4 1.0 O A:ASP199 3.4 9.0 1.0 CG A:ASP199 3.4 11.6 1.0 OD2 A:ASP199 3.6 14.5 1.0 C A:THR204 3.7 10.5 1.0 P A:PO4488 3.8 9.4 1.0 N A:GLY201 3.8 9.1 1.0 O4 A:PO4488 3.9 10.3 1.0 CG A:ASP206 3.9 11.6 1.0 MG A:MG487 3.9 9.0 1.0 O A:HOH545 3.9 11.2 1.0 CB A:THR204 4.0 9.2 1.0 O A:HOH561 4.1 9.4 1.0 C A:ASP199 4.1 8.0 1.0 O1 A:PO4488 4.1 8.3 1.0 CB A:ASP199 4.2 8.7 1.0 N A:ASP206 4.3 8.2 1.0 N A:PHE205 4.3 8.4 1.0 CA A:THR204 4.3 7.8 1.0 O A:HOH509 4.3 11.6 1.0 CA A:GLY201 4.4 9.5 1.0 CB A:ASP206 4.4 9.1 1.0 O A:HOH551 4.4 14.2 1.0 CA A:PHE205 4.5 9.1 1.0 C A:LEU200 4.6 9.9 1.0 N A:LEU200 4.7 7.9 1.0 N A:THR204 4.7 8.4 1.0 C A:PHE205 4.7 8.3 1.0 CA A:LEU200 4.7 8.7 1.0 O2B A:ADP486 4.8 11.8 1.0 CA A:ASP199 4.8 8.1 1.0 OD1 A:ASP206 4.9 11.9 1.0

M.C.Sousa, D.B.Mckay. The Hydroxyl of Threonine 13 of the Bovine 70-kDa Heat Shock Cognate Protein Is Essential For Transducing the Atp-Induced Conformational Change. Biochemistry V. 37 15392 1998.
ISSN: ISSN 0006-2960
PubMed: 9799500
DOI: 10.1021/BI981510X