Chlorine in PDB 8fpo: PCSK9 in Complex with An Inhibitor

The structure of PCSK9 in Complex with An Inhibitor, PDB code: 8fpo was solved by M.Xu, R.Chopra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.05 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.952, 70.751, 150.093, 90, 90, 90
R / Rfree (%)	18.2 / 25

The structure of PCSK9 in Complex with An Inhibitor also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the PCSK9 in Complex with An Inhibitor (pdb code 8fpo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the PCSK9 in Complex with An Inhibitor, PDB code: 8fpo:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the PCSK9 in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PCSK9 in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl3 b:60.2 occ:1.00 CL C:7T23 0.0 60.2 1.0 CZ C:7T23 1.7 14.2 1.0 CE2 C:7T23 2.7 7.8 1.0 CE1 C:7T23 2.7 15.8 1.0 CB A:PRO71 3.8 5.0 1.0 CD2 C:7T23 4.0 12.9 1.0 CD1 C:7T23 4.0 13.4 1.0 CG A:PRO71 4.4 8.0 1.0 CG C:7T23 4.5 14.0 1.0 NE1 A:TRP72 4.6 7.6 1.0 CB C:ALA2 4.7 19.2 1.0 CD1 A:TRP72 4.9 7.0 1.0

Chlorine binding site 2 out of 3 in the PCSK9 in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of PCSK9 in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl6 b:69.6 occ:1.00 CL C:7T26 0.0 69.6 1.0 CZ C:7T26 1.8 23.2 1.0 CE1 C:7T26 2.7 18.6 1.0 CE2 C:7T26 2.8 17.6 1.0 O B:LYS222 3.6 37.4 1.0 O B:CYS255 3.6 34.3 1.0 CD1 C:7T26 4.0 14.4 1.0 N B:GLY257 4.0 20.2 1.0 CD2 C:7T26 4.1 15.9 1.0 CG2 B:THR187 4.2 10.7 1.0 CA B:GLY257 4.3 12.3 1.0 CB B:HIS226 4.3 14.8 1.0 C B:GLN256 4.4 23.2 1.0 C B:CYS255 4.4 28.2 1.0 NZ B:LYS222 4.5 38.1 1.0 CG C:7T26 4.5 15.0 1.0 C B:LYS222 4.6 34.9 1.0 N B:HIS226 4.7 22.2 1.0 O B:CYS223 4.7 35.7 1.0 O B:GLN256 4.9 24.0 1.0 CA B:GLN256 4.9 22.1 1.0 CG B:LYS222 4.9 36.4 1.0 O B:ASN254 4.9 19.2 1.0 CB B:SER225 5.0 15.1 1.0

Chlorine binding site 3 out of 3 in the PCSK9 in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of PCSK9 in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl8 b:45.3 occ:1.00 CL C:7T28 0.0 45.3 1.0 CZ C:7T28 1.7 12.5 1.0 CE2 C:7T28 2.7 14.3 1.0 CE1 C:7T28 2.7 10.0 1.0 OD1 B:ASN317 3.6 6.5 1.0 N B:THR385 3.6 5.2 1.0 CA B:GLY384 3.7 5.4 1.0 CB B:ALA338 3.7 4.0 1.0 C B:GLY384 3.7 4.9 1.0 N B:THR353 3.8 8.1 1.0 CG2 B:THR385 3.9 2.9 1.0 CD2 C:7T28 4.0 21.0 1.0 CD1 C:7T28 4.0 14.2 1.0 CB B:VAL346 4.0 13.6 1.0 CG1 B:VAL346 4.1 12.5 1.0 C B:GLY352 4.1 8.2 1.0 CA B:THR353 4.2 6.5 1.0 N B:GLY384 4.2 7.6 1.0 CG B:ASN317 4.3 5.7 1.0 O B:GLY384 4.4 6.1 1.0 CG2 B:VAL346 4.4 8.5 1.0 CB B:THR353 4.5 5.2 1.0 CG C:7T28 4.5 23.5 1.0 CA B:THR385 4.5 5.4 1.0 O B:GLY365 4.5 10.5 1.0 CA B:GLY352 4.5 12.5 1.0 O B:GLY352 4.7 7.1 1.0 CB B:THR385 4.7 3.3 1.0 CB B:ASN317 4.9 8.6 1.0 ND2 B:ASN317 5.0 5.5 1.0 CA B:ALA338 5.0 2.7 1.0

M.Xu, R.Chopra. PCSK9 in Complex with Cyclic Peptide To Be Published.