Chlorine in PDB 4hls: Crystal Structure of Mutant Rabbit Prp 121-230 (S170N)

The structure of Crystal Structure of Mutant Rabbit Prp 121-230 (S170N), PDB code: 4hls was solved by B.Sweeting, A.Chakrabartty, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.51 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	29.520, 86.080, 86.950, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 18

The structure of Crystal Structure of Mutant Rabbit Prp 121-230 (S170N) also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of Mutant Rabbit Prp 121-230 (S170N) (pdb code 4hls). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Mutant Rabbit Prp 121-230 (S170N), PDB code: 4hls:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Mutant Rabbit Prp 121-230 (S170N)


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 Mutant Rabbit Prp 121-230 (S170N) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:13.5 occ:1.00 O A:HOH437 3.1 21.2 1.0 NH1 A:ARG136 3.3 14.6 1.0 N A:ARG136 3.3 10.9 1.0 O A:HOH476 3.4 29.1 1.0 CG A:ARG136 3.7 10.0 1.0 CD A:ARG136 3.8 11.1 1.0 CB A:ARG136 3.8 9.3 1.0 CA A:SER135 4.1 16.0 1.0 CA A:ARG136 4.1 9.2 1.0 C A:SER135 4.2 13.0 1.0 CE A:MET154 4.2 14.2 1.0 CZ A:ARG136 4.3 11.2 1.0 NE A:ARG136 4.5 11.1 1.0 O A:MET134 4.7 14.8 1.0 CB A:SER135 4.8 21.2 1.0 CE1 A:TYR155 5.0 9.0 1.0 O A:ARG136 5.0 11.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Mutant Rabbit Prp 121-230 (S170N)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Mutant Rabbit Prp 121-230 (S170N) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:15.1 occ:1.00 O B:HOH425 3.2 18.6 1.0 N B:ARG136 3.3 11.9 1.0 NH1 B:ARG136 3.3 15.8 1.0 CG B:ARG136 3.6 11.0 1.0 CB B:ARG136 3.6 11.0 1.0 CD B:ARG136 3.8 12.5 1.0 CA B:ARG136 4.1 11.4 1.0 CA B:SER135 4.2 14.3 1.0 C B:SER135 4.2 14.0 1.0 CZ B:ARG136 4.3 10.9 1.0 NE B:ARG136 4.5 12.6 1.0 CE1 B:TYR155 4.5 14.1 1.0 SD B:MET154 4.6 15.2 1.0 O B:MET134 4.8 14.4 1.0 CB B:SER135 4.8 19.2 1.0 CD1 B:TYR155 4.9 13.5 1.0 O B:ARG136 4.9 13.1 1.0

B.Sweeting, E.Brown, M.Q.Khan, A.Chakrabartty, E.F.Pai. N-Terminal Helix-Cap in Alpha-Helix 2 Modulates Beta-State Misfolding in Rabbit and Hamster Prion Proteins. Plos One V. 8 63047 2013.
ISSN: ESSN 1932-6203
PubMed: 23675452
DOI: 10.1371/JOURNAL.PONE.0063047