Chlorine in PDB 4hmr: Crystal Structure of Mutant Rabbit Prp 121-230 (S170N/S174N)

The structure of Crystal Structure of Mutant Rabbit Prp 121-230 (S170N/S174N), PDB code: 4hmr 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)	61.35 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	29.530, 86.440, 87.090, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 20.7

The structure of Crystal Structure of Mutant Rabbit Prp 121-230 (S170N/S174N) also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Mutant Rabbit Prp 121-230 (S170N/S174N) (pdb code 4hmr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Mutant Rabbit Prp 121-230 (S170N/S174N), PDB code: 4hmr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Mutant Rabbit Prp 121-230 (S170N/S174N)


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/S174N) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:15.9 occ:1.00 O A:HOH439 3.2 25.0 1.0 NH1 A:ARG136 3.2 17.1 1.0 N A:ARG136 3.3 13.6 1.0 CG A:ARG136 3.6 10.6 1.0 CD A:ARG136 3.8 14.4 1.0 CB A:ARG136 3.8 12.5 1.0 CA A:SER135 4.1 17.8 1.0 CA A:ARG136 4.2 13.2 1.0 CE A:MET154 4.2 6.3 0.5 C A:SER135 4.2 14.8 1.0 CZ A:ARG136 4.3 13.2 1.0 NE A:ARG136 4.5 14.4 1.0 O A:MET134 4.7 16.2 1.0 CB A:SER135 4.8 19.4 1.0 SD A:MET154 4.8 15.2 0.5 CE1 A:TYR155 4.9 12.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Mutant Rabbit Prp 121-230 (S170N/S174N)


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/S174N) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:17.5 occ:1.00 O B:HOH425 3.1 23.1 1.0 N B:ARG136 3.3 15.4 1.0 NH1 B:ARG136 3.3 17.6 1.0 CG B:ARG136 3.6 15.2 1.0 CB B:ARG136 3.7 15.8 1.0 CD B:ARG136 3.7 15.5 1.0 CA B:ARG136 4.1 15.4 1.0 CA B:SER135 4.1 17.5 1.0 C B:SER135 4.2 14.6 1.0 CZ B:ARG136 4.3 14.5 1.0 NE B:ARG136 4.5 13.5 1.0 CE1 B:TYR155 4.5 15.7 1.0 SD B:MET154 4.6 18.9 1.0 CB B:SER135 4.7 25.8 1.0 O B:MET134 4.8 17.8 1.0 CD1 B:TYR155 4.9 16.0 1.0 O B:ARG136 4.9 13.9 1.0 CG B:MET154 5.0 17.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Mutant Rabbit Prp 121-230 (S170N/S174N)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Mutant Rabbit Prp 121-230 (S170N/S174N) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:29.8 occ:1.00 N B:ASN170 3.0 25.6 1.0 ND2 B:ASN174 3.1 23.5 1.0 N B:ASN171 3.5 23.0 1.0 CA B:TYR169 3.7 21.4 1.0 CB B:ASN174 3.8 18.1 1.0 CA B:ASN170 3.8 28.5 1.0 C B:TYR169 3.9 23.1 1.0 CB B:ASN170 3.9 31.5 1.0 CG B:ASN174 4.0 19.2 1.0 CB B:TYR169 4.0 22.9 1.0 C B:ASN170 4.1 20.7 1.0 CD1 B:TYR169 4.2 22.6 1.0 O B:ASN171 4.4 21.6 1.0 CG B:ASN171 4.5 29.6 1.0 OD1 B:ASN171 4.5 45.0 1.0 CG B:TYR169 4.6 21.9 1.0 CA B:ASN171 4.6 24.8 1.0 CG B:ASN170 4.7 38.8 1.0 ND2 B:ASN170 4.8 49.7 1.0 ND2 B:ASN171 4.9 55.1 1.0 O B:GLN168 4.9 26.0 1.0 CB B:ASN171 5.0 29.8 1.0 C B:ASN171 5.0 18.5 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