Chlorine in PDB 3k55: Structure of Beta Hairpin Deletion Mutant of Beta Toxin From Staphylococcus Aureus

All present enzymatic activity of Structure of Beta Hairpin Deletion Mutant of Beta Toxin From Staphylococcus Aureus:
3.1.4.12;

The structure of Structure of Beta Hairpin Deletion Mutant of Beta Toxin From Staphylococcus Aureus, PDB code: 3k55 was solved by A.C.Kruse, M.Huseby, K.Shi, J.Digre, D.H.Ohlendorf, C.A.Earhart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.31 / 3.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	151.377, 134.473, 156.990, 90.00, 116.89, 90.00
R / Rfree (%)	24.1 / 28.1

The structure of Structure of Beta Hairpin Deletion Mutant of Beta Toxin From Staphylococcus Aureus also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Structure of Beta Hairpin Deletion Mutant of Beta Toxin From Staphylococcus Aureus (pdb code 3k55). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Beta Hairpin Deletion Mutant of Beta Toxin From Staphylococcus Aureus, PDB code: 3k55:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Beta Hairpin Deletion Mutant of Beta Toxin From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Beta Hairpin Deletion Mutant of Beta Toxin From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl287 b:56.9 occ:1.00 O D:ARG80 3.5 62.7 1.0 O D:GLY79 3.7 47.4 1.0 O D:VAL96 3.9 66.9 1.0 O D:SER94 3.9 60.5 1.0 ND2 D:ASN129 4.4 45.5 1.0 C D:ARG80 4.4 62.6 1.0 O D:SER93 4.4 64.1 1.0 CA D:ARG80 4.5 63.1 1.0 CG2 D:VAL96 4.6 69.0 1.0 C D:SER94 4.7 61.5 1.0 C D:GLY79 4.8 46.8 1.0 CA D:SER94 4.9 61.0 1.0 C D:VAL96 4.9 68.6 1.0

Chlorine binding site 2 out of 3 in the Structure of Beta Hairpin Deletion Mutant of Beta Toxin From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Beta Hairpin Deletion Mutant of Beta Toxin From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl287 b:57.1 occ:1.00 O B:VAL96 3.6 59.6 1.0 O B:SER94 3.7 45.7 1.0 O B:ARG80 3.9 45.8 1.0 O B:GLY79 3.9 58.0 1.0 O B:SER93 4.3 38.8 1.0 ND2 B:ASN129 4.4 52.0 1.0 CG2 B:VAL96 4.4 59.9 1.0 C B:SER94 4.4 46.1 1.0 C B:VAL96 4.7 60.3 1.0 CA B:SER94 4.7 45.8 1.0 C B:ARG80 4.7 45.3 1.0 O B:GLU98 4.8 50.9 1.0 CA B:ARG80 4.8 44.9 1.0 N B:VAL96 5.0 61.1 1.0 C B:GLU98 5.0 50.4 1.0

Chlorine binding site 3 out of 3 in the Structure of Beta Hairpin Deletion Mutant of Beta Toxin From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Beta Hairpin Deletion Mutant of Beta Toxin From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl287 b:72.3 occ:1.00 CB L:SER229 3.6 0.9 1.0 OG L:SER229 3.7 0.7 1.0 CE1 L:HIS221 3.7 81.0 1.0 ND1 L:HIS221 3.9 80.2 1.0 CG2 L:THR266 4.1 95.1 1.0 CB L:THR266 4.5 95.2 1.0 OH K:TYR279 4.7 80.6 1.0 O L:SER229 4.8 0.2 1.0 CA L:SER229 4.9 1.0 1.0 NE2 L:HIS221 4.9 81.0 1.0

A.C.Kruse, M.J.Huseby, K.Shi, J.Digre, D.H.Ohlendorf, C.A.Earhart. Structure of A Mutant Beta Toxin From Staphylococcus Aureus Reveals Domain Swapping and Conformational Flexibility Acta Crystallogr.,Sect.F V. 67 438 2011.
ISSN: ESSN 1744-3091
PubMed: 21505235
DOI: 10.1107/S1744309111005239