Chlorine in PDB 2bup: T13G Mutant of the Atpase Fragment of Bovine HSC70

The structure of T13G Mutant of the Atpase Fragment of Bovine HSC70, PDB code: 2bup 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)	30.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	143.350, 64.300, 46.230, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 22.4

The structure of T13G Mutant of the Atpase Fragment of Bovine HSC70 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Potassium	(K)	2 atoms

The binding sites of Chlorine atom in the T13G Mutant of the Atpase Fragment of Bovine HSC70 (pdb code 2bup). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the T13G Mutant of the Atpase Fragment of Bovine HSC70, PDB code: 2bup:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T13G Mutant of the Atpase Fragment of Bovine HSC70


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T13G Mutant of the Atpase Fragment of Bovine HSC70 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl451 b:18.4 occ:1.00 NZ A:LYS345 3.0 19.3 1.0 O A:HOH537 3.0 10.8 1.0 NZ A:LYS348 3.3 13.9 1.0 CE A:LYS345 3.6 16.4 1.0 CD A:LYS348 3.8 13.0 1.0 NH2 A:ARG311 3.9 24.2 1.0 CE A:LYS348 4.0 15.4 1.0 CD A:LYS345 4.2 12.0 1.0 CD2 A:LEU349 4.2 10.7 1.0 CG A:LYS348 4.3 13.1 1.0 OD2 A:ASP352 4.4 9.1 1.0 CG A:LEU349 4.6 9.1 1.0

Chlorine binding site 2 out of 2 in the T13G Mutant of the Atpase Fragment of Bovine HSC70


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T13G Mutant of the Atpase Fragment of Bovine HSC70 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl452 b:15.6 occ:1.00 O A:HOH612 3.2 13.6 1.0 NZ A:LYS126 3.3 15.4 1.0 N A:ASP32 3.3 16.2 1.0 NE2 A:GLN33 3.4 15.4 1.0 CB A:ASN31 3.4 12.3 1.0 CB A:ASP32 3.5 19.8 1.0 CG A:ASP32 3.5 22.2 1.0 CD A:LYS126 3.7 13.2 1.0 OD2 A:ASP32 3.8 23.3 1.0 O A:HOH830 3.8 25.7 1.0 CG A:ASN31 3.9 12.3 1.0 O A:HOH962 3.9 29.9 1.0 CE A:LYS126 3.9 14.7 1.0 CA A:ASP32 4.0 17.5 1.0 OD1 A:ASP32 4.0 23.3 1.0 OE1 A:GLN33 4.1 16.8 1.0 CD A:GLN33 4.1 17.0 1.0 ND2 A:ASN31 4.2 11.0 1.0 O A:HOH774 4.2 17.1 1.0 CG1 A:ILE130 4.3 13.5 1.0 C A:ASN31 4.3 14.5 1.0 CA A:ASN31 4.3 13.5 1.0 CD1 A:ILE130 4.4 14.4 1.0 OD1 A:ASN31 4.4 13.6 1.0 O A:HOH771 4.7 22.1 1.0 N A:GLN33 4.7 16.1 1.0 C A:ASP32 4.9 18.3 1.0 CG A:LYS126 4.9 13.2 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