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

Protein crystallography data

The structure of PCSK9 in Complex with An Inhibitor, PDB code: 8fvo 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) 48.09 / 2.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.83, 70.235, 149.422, 90, 90, 90
R / Rfree (%) 18.3 / 23.9

Other elements in 8fvo:

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

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the PCSK9 in Complex with An Inhibitor (pdb code 8fvo). 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: 8fvo:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 8fvo

Go back to Chlorine Binding Sites List in 8fvo
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:77.8
occ:1.00
CL C:7T23 0.0 77.8 1.0
CZ C:7T23 1.8 25.3 1.0
CE2 C:7T23 2.7 18.9 1.0
CE1 C:7T23 2.8 15.4 1.0
CB A:PRO71 3.6 12.5 1.0
CD2 C:7T23 4.0 20.5 1.0
CD1 C:7T23 4.0 15.8 1.0
CG A:PRO71 4.3 13.2 1.0
NE1 A:TRP72 4.4 14.6 1.0
CG C:7T23 4.5 19.2 1.0
CD1 A:TRP72 4.6 17.4 1.0
CA A:PRO71 5.0 12.1 1.0

Chlorine binding site 2 out of 3 in 8fvo

Go back to Chlorine Binding Sites List in 8fvo
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:48.0
occ:1.00
CL C:7T26 0.0 48.0 1.0
CZ C:7T26 1.7 20.9 1.0
CE1 C:7T26 2.7 25.8 1.0
CE2 C:7T26 2.7 18.5 1.0
O B:CYS255 3.5 33.3 1.0
N B:GLY257 3.7 24.1 1.0
O B:LYS222 3.9 42.3 1.0
C B:GLN256 3.9 25.6 1.0
CA B:GLY257 4.0 20.1 1.0
CD1 C:7T26 4.0 22.4 1.0
CD2 C:7T26 4.0 20.5 1.0
O B:HOH822 4.2 44.3 1.0
C B:CYS255 4.3 32.9 1.0
O B:GLN256 4.3 24.7 1.0
CG2 B:THR187 4.3 15.6 1.0
CA B:GLN256 4.5 32.0 1.0
CG C:7T26 4.5 22.2 1.0
NZ B:LYS222 4.6 37.4 1.0
CB B:HIS226 4.7 21.5 1.0
N B:GLN256 4.8 34.3 1.0
CG B:LYS222 4.8 51.6 1.0
CE B:LYS222 4.8 47.9 1.0
O B:ASN254 4.9 25.7 1.0
C B:LYS222 4.9 46.0 1.0

Chlorine binding site 3 out of 3 in 8fvo

Go back to Chlorine Binding Sites List in 8fvo
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:47.3
occ:1.00
CL C:7T28 0.0 47.3 1.0
CZ C:7T28 1.8 21.2 1.0
CE1 C:7T28 2.7 15.7 1.0
CE2 C:7T28 2.7 15.2 1.0
OD1 B:ASN317 3.5 11.8 1.0
CA B:GLY384 3.7 12.8 1.0
N B:THR385 3.7 14.3 1.0
CB B:ALA338 3.8 7.3 1.0
C B:GLY384 3.8 13.6 1.0
N B:THR353 3.9 13.9 1.0
CD1 C:7T28 4.0 24.3 1.0
CD2 C:7T28 4.0 19.9 1.0
CG2 B:THR385 4.0 7.9 1.0
CB B:VAL346 4.1 21.1 1.0
CG B:ASN317 4.1 14.2 1.0
C B:GLY352 4.1 12.8 1.0
CG1 B:VAL346 4.1 22.3 1.0
CA B:THR353 4.2 8.8 1.0
N B:GLY384 4.2 12.9 1.0
O B:GLY384 4.5 10.6 1.0
CG C:7T28 4.5 25.1 1.0
CB B:THR353 4.5 8.1 1.0
CA B:GLY352 4.5 15.2 1.0
CG2 B:VAL346 4.6 15.4 1.0
CA B:THR385 4.6 14.4 1.0
CB B:ASN317 4.7 10.5 1.0
O B:GLY352 4.7 12.5 1.0
O B:GLY365 4.7 12.4 1.0
ND2 B:ASN317 4.7 15.3 1.0
CB B:THR385 4.9 9.1 1.0
CA B:ASN317 4.9 11.3 1.0
O B:VAL346 5.0 21.3 1.0

Reference:

M.Xu, R.Chopra. PCSK9 in Complex with Cyclic Peptide To Be Published.
Page generated: Sun Jul 13 11:40:45 2025

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