Chlorine in PDB 4k1t: Gly-Ser-Splb Protease From Staphylococcus Aureus at 1.60 A Resolution

The structure of Gly-Ser-Splb Protease From Staphylococcus Aureus at 1.60 A Resolution, PDB code: 4k1t was solved by M.Zdzalik, K.Pustelny, J.Stec-Niemczyk, P.Cichon, A.Czarna, G.Popowicz, M.Drag, B.Wladyka, J.Potempa, A.Dubin, G.Dubin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.91 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	134.740, 77.760, 95.790, 90.00, 131.81, 90.00
R / Rfree (%)	18.4 / 22.3

The structure of Gly-Ser-Splb Protease From Staphylococcus Aureus at 1.60 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

10 atoms

The binding sites of Chlorine atom in the Gly-Ser-Splb Protease From Staphylococcus Aureus at 1.60 A Resolution (pdb code 4k1t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Gly-Ser-Splb Protease From Staphylococcus Aureus at 1.60 A Resolution, PDB code: 4k1t:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Gly-Ser-Splb Protease From Staphylococcus Aureus at 1.60 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Gly-Ser-Splb Protease From Staphylococcus Aureus at 1.60 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:33.5 occ:1.00 N A:ASN184 3.0 8.7 1.0 CB C:SER175 3.5 23.9 1.0 O A:HOH479 3.5 25.0 1.0 CA A:ARG183 3.7 9.2 1.0 OG C:SER175 3.7 22.8 1.0 CA C:SER154 3.8 6.3 0.5 N C:SER154 3.8 6.2 1.0 O C:HOH474 3.8 16.4 1.0 CA C:SER154 3.8 6.5 0.5 C A:ARG183 3.8 9.2 1.0 OG C:SER154 3.9 7.5 0.5 CB A:ASN184 3.9 11.4 1.0 CG A:ASN184 4.0 14.1 1.0 CB A:ARG183 4.0 12.3 1.0 C C:GLU153 4.1 5.8 1.0 ND2 A:ASN184 4.1 23.3 1.0 CA A:ASN184 4.1 10.1 1.0 CB C:SER154 4.2 6.6 0.5 OD1 A:ASN184 4.4 16.6 1.0 CB C:SER154 4.4 7.3 0.5 O C:GLU153 4.4 6.4 1.0 N C:SER175 4.5 20.8 1.0 CA C:SER175 4.5 22.5 1.0 CA C:GLU153 4.6 6.4 1.0 CG A:ARG183 4.7 16.5 1.0 O A:ASN182 4.7 9.8 1.0 O C:HOH493 4.7 23.1 1.0 O A:ASN184 4.9 11.2 1.0 N A:ARG183 5.0 9.6 1.0

Chlorine binding site 2 out of 3 in the Gly-Ser-Splb Protease From Staphylococcus Aureus at 1.60 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Gly-Ser-Splb Protease From Staphylococcus Aureus at 1.60 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:29.7 occ:1.00 N B:ASN184 3.2 8.8 1.0 CB A:SER175 3.3 27.4 1.0 ND2 B:ASN184 3.4 21.7 1.0 OG A:SER175 3.6 29.3 1.0 O B:HOH553 3.6 24.1 1.0 O A:HOH554 3.7 16.8 1.0 CA B:ARG183 3.7 9.5 1.0 N A:SER154 3.8 6.4 1.0 CA A:SER154 3.8 6.1 0.5 CA A:SER154 3.9 6.5 0.5 CB B:ARG183 4.0 11.4 1.0 C B:ARG183 4.0 9.5 1.0 OG A:SER154 4.0 8.0 0.5 CG B:ASN184 4.0 14.1 1.0 C A:GLU153 4.0 6.3 1.0 CB B:ASN184 4.1 12.3 1.0 CB A:SER154 4.2 6.3 0.5 CA A:SER175 4.3 24.1 1.0 CA B:ASN184 4.3 10.5 1.0 N A:SER175 4.3 23.1 1.0 O A:GLU153 4.4 7.7 1.0 CA A:GLU153 4.5 6.3 1.0 CB A:SER154 4.5 7.5 0.5 NH2 A:ARG183 4.6 25.0 1.0 C A:SER175 4.6 26.1 1.0 CG B:ARG183 4.6 15.1 1.0 O B:ASN182 4.6 9.5 1.0 OD1 B:ASN184 4.7 19.3 1.0 O B:ASN184 5.0 11.5 1.0

Chlorine binding site 3 out of 3 in the Gly-Ser-Splb Protease From Staphylococcus Aureus at 1.60 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Gly-Ser-Splb Protease From Staphylococcus Aureus at 1.60 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:32.0 occ:1.00 O B:HOH562 3.1 38.8 1.0 N C:ASN184 3.2 8.7 1.0 CB B:SER175 3.3 23.7 1.0 OG B:SER175 3.6 26.0 1.0 CA C:ARG183 3.7 9.0 1.0 O B:HOH484 3.7 14.7 1.0 O C:HOH538 3.8 25.4 1.0 N B:SER154 3.8 6.6 1.0 O C:HOH615 3.8 36.4 1.0 CA B:SER154 3.9 6.7 0.5 C C:ARG183 3.9 9.2 1.0 CB C:ARG183 3.9 12.4 1.0 CA B:SER154 4.0 7.0 0.5 C B:GLU153 4.1 6.6 1.0 OG B:SER154 4.1 7.9 0.5 CB C:ASN184 4.1 11.4 1.0 CA C:ASN184 4.3 10.4 1.0 N B:SER175 4.3 21.0 1.0 CG C:ASN184 4.3 13.9 1.0 CA B:SER175 4.3 22.4 1.0 CB B:SER154 4.4 6.5 0.5 O B:GLU153 4.4 6.7 1.0 CG C:ARG183 4.5 15.4 1.0 CA B:GLU153 4.5 7.4 1.0 CB B:SER154 4.6 7.1 0.5 NH1 C:ARG183 4.6 24.5 1.0 OD1 C:ASN184 4.7 16.7 1.0 O C:ASN182 4.7 9.4 1.0 C B:SER175 4.7 24.3 1.0 ND2 C:ASN184 4.9 22.4 1.0 N C:ARG183 5.0 9.8 1.0 O C:ASN184 5.0 12.3 1.0

K.Pustelny, M.Zdzalik, N.Stach, J.Stec-Niemczyk, P.Cichon, A.Czarna, G.Popowicz, P.Mak, M.Drag, G.S.Salvesen, B.Wladyka, J.Potempa, A.Dubin, G.Dubin. Staphylococcal Splb Serine Protease Utilizes A Novel Molecular Mechanism of Activation. J.Biol.Chem. V. 289 15544 2014.
ISSN: ISSN 0021-9258
PubMed: 24713703
DOI: 10.1074/JBC.M113.507616