Chlorine in PDB 4hse: Crystal Structure of Clpb NBD1 in Complex with Guanidinium Chloride and Adp

The structure of Crystal Structure of Clpb NBD1 in Complex with Guanidinium Chloride and Adp, PDB code: 4hse was solved by C.Zeymer, N.D.Werbeck, I.Schlichting, J.Reinstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.36 / 2.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.990, 60.990, 213.870, 90.00, 90.00, 120.00
R / Rfree (%)	22.5 / 26.6

The binding sites of Chlorine atom in the Crystal Structure of Clpb NBD1 in Complex with Guanidinium Chloride and Adp (pdb code 4hse). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Clpb NBD1 in Complex with Guanidinium Chloride and Adp, PDB code: 4hse:

Chlorine binding site 1 out of 1 in the Crystal Structure of Clpb NBD1 in Complex with Guanidinium Chloride and Adp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Clpb NBD1 in Complex with Guanidinium Chloride and Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:37.5 occ:1.00 NH2 A:ARG214 3.2 36.8 1.0 NH1 A:ARG180 3.3 36.6 1.0 NH1 A:ARG214 3.4 38.8 1.0 CD A:ARG180 3.6 34.9 1.0 CZ A:ARG214 3.7 37.0 1.0 CG A:ARG180 3.8 34.4 1.0 CB A:ASP176 3.9 35.9 1.0 OD1 A:ASP176 4.3 38.1 1.0 CZ A:ARG180 4.3 38.3 1.0 CG A:ASP176 4.3 37.1 1.0 NE A:ARG180 4.4 36.0 1.0 O A:ASP176 4.4 34.9 1.0 CA A:ASP176 4.6 34.7 1.0 C A:ASP176 4.8 35.2 1.0 NE A:ARG214 5.0 36.6 1.0

C.Zeymer, N.D.Werbeck, I.Schlichting, J.Reinstein. The Molecular Mechanism of HSP100 Chaperone Inhibition By the Prion Curing Agent Guanidinium Chloride. J.Biol.Chem. V. 288 7065 2013.
ISSN: ISSN 0021-9258
PubMed: 23341453
DOI: 10.1074/JBC.M112.432583