Chlorine in PDB 8k7p: Staphylococcus Aureus Lipase -Psa Complex

All present enzymatic activity of Staphylococcus Aureus Lipase -Psa Complex:
3.1.1.3;

The structure of Staphylococcus Aureus Lipase -Psa Complex, PDB code: 8k7p was solved by J.Kitadokoro, S.Kamitani, K.Kitadokoro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.16 / 2.19
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	132.324, 132.324, 248.636, 90, 90, 90
R / Rfree (%)	19.8 / 21.8

The structure of Staphylococcus Aureus Lipase -Psa Complex also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Magnesium	(Mg)	1 atom
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Staphylococcus Aureus Lipase -Psa Complex (pdb code 8k7p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Staphylococcus Aureus Lipase -Psa Complex, PDB code: 8k7p:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Staphylococcus Aureus Lipase -Psa Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Staphylococcus Aureus Lipase -Psa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl413 b:77.5 occ:1.00 OH A:TYR70 3.6 56.7 1.0 CE A:MET158 4.1 60.3 1.0 ND1 A:HIS155 4.1 57.3 1.0 SD A:MET158 4.3 56.9 1.0 O A:TRP104 4.4 61.0 1.0 CG A:HIS155 4.4 52.8 1.0 CE1 A:HIS155 4.5 51.1 1.0 CZ A:TYR70 4.5 53.4 1.0 CE1 A:TYR70 4.5 50.0 1.0 CA A:GLU105 4.7 61.9 1.0 CB A:HIS155 4.8 49.0 1.0 CD2 A:HIS155 4.9 50.4 1.0 CB A:PRO149 4.9 61.3 1.0 CD A:PRO106 4.9 53.5 1.0 NE2 A:HIS155 4.9 63.4 1.0

Chlorine binding site 2 out of 4 in the Staphylococcus Aureus Lipase -Psa Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Staphylococcus Aureus Lipase -Psa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl414 b:75.9 occ:1.00 NZ A:LYS212 3.7 84.1 1.0 O A:ILE202 3.9 53.4 1.0 CD A:LYS212 4.0 72.7 1.0 CG2 A:THR207 4.2 45.7 1.0 CA A:ASP203 4.3 51.0 1.0 CB A:ASP203 4.3 47.2 1.0 C A:ILE202 4.4 54.0 1.0 CE A:LYS212 4.5 72.3 1.0 N A:ASP203 4.6 56.7 1.0 O A:MET195 4.6 48.5 1.0 CG A:ASP203 4.6 56.5 1.0 O A:SER200 4.7 51.3 1.0 OD2 A:ASP203 4.9 64.7 1.0

Chlorine binding site 3 out of 4 in the Staphylococcus Aureus Lipase -Psa Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Staphylococcus Aureus Lipase -Psa Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl415 b:81.6 occ:1.00 O B:ILE202 3.7 65.7 1.0 CD B:LYS212 4.2 84.2 1.0 C B:ILE202 4.2 65.6 1.0 CA B:ASP203 4.2 55.9 1.0 O B:MET195 4.3 55.7 1.0 CB B:ASP203 4.4 54.8 1.0 CG2 B:THR207 4.4 46.7 1.0 N B:ASP203 4.5 59.6 1.0 O B:HOH532 4.5 51.5 1.0 NZ B:LYS212 4.6 91.8 1.0 O B:SER200 4.6 57.2 1.0 CG B:ASP203 4.7 67.7 1.0 CE B:LYS212 4.8 88.1 1.0 N B:ILE202 4.9 57.9 1.0 OG B:SER200 5.0 58.0 1.0

Chlorine binding site 4 out of 4 in the Staphylococcus Aureus Lipase -Psa Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Staphylococcus Aureus Lipase -Psa Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl416 b:95.3 occ:1.00 OH B:TYR70 3.5 73.5 1.0 CE B:MET158 4.0 74.6 1.0 ND1 B:HIS155 4.2 89.6 1.0 SD B:MET158 4.3 77.6 1.0 O B:TRP104 4.3 81.1 1.0 CE1 B:HIS155 4.4 83.6 1.0 CB B:PRO149 4.5 62.6 1.0 CZ B:TYR70 4.5 74.6 1.0 CE1 B:TYR70 4.6 79.3 1.0 CG B:HIS155 4.7 85.9 1.0 CA B:GLU105 4.8 91.8 1.0 CE B:LYS74 4.9 74.0 1.0 NE2 B:HIS155 4.9 99.8 1.0

J.Kitadokoro, S.Kamitani, Y.Okuno, T.Hikima, M.Yamamoto, T.Hirokawa, K.Kitadokoro. Crystal Structure of Staphylococcus Aureus Lipase Complex with Unsaturated Petroselinic Acid. Febs Open Bio 2024.
ISSN: ESSN 2211-5463
PubMed: 38757397
DOI: 10.1002/2211-5463.13808