Fluorine in PDB 8hgk: Crystal Structure of Human Clpp in Complex with ZK53

All present enzymatic activity of Crystal Structure of Human Clpp in Complex with ZK53:
3.4.21.92;

The structure of Crystal Structure of Human Clpp in Complex with ZK53, PDB code: 8hgk was solved by C.-G.Yang, J.H.Gan, L.-L.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.53 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	120.31, 97, 123.84, 90, 93.98, 90
R / Rfree (%)	18.6 / 22.1

The structure of Crystal Structure of Human Clpp in Complex with ZK53 also contains other interesting chemical elements:

Bromine	(Br)	14 atoms
Magnesium	(Mg)	5 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Clpp in Complex with ZK53 (pdb code 8hgk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 28 binding sites of Fluorine where determined in the Crystal Structure of Human Clpp in Complex with ZK53, PDB code: 8hgk:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 28 in the Crystal Structure of Human Clpp in Complex with ZK53


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Clpp in Complex with ZK53 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:64.4 occ:1.00 F26 A:ZLL301 0.0 64.4 1.0 C21 A:ZLL301 1.3 75.1 1.0 C20 A:ZLL301 2.2 64.9 1.0 C22 A:ZLL301 2.3 55.0 1.0 CB G:TYR138 3.3 31.5 1.0 CG G:TYR138 3.3 32.5 1.0 C19 A:ZLL301 3.4 69.5 1.0 C23 A:ZLL301 3.4 68.3 1.0 CD2 G:TYR138 3.5 37.0 1.0 CA G:THR135 3.6 30.4 1.0 OG1 G:THR135 3.7 28.2 1.0 CG2 G:THR135 3.7 33.0 1.0 CD1 A:LEU170 3.8 47.3 1.0 C24 A:ZLL301 3.9 61.2 1.0 CB G:THR135 3.9 30.1 1.0 CD1 G:TYR138 4.0 35.7 1.0 CD2 A:LEU170 4.1 42.5 1.0 CE2 G:TYR138 4.3 40.6 1.0 N G:THR135 4.4 25.6 1.0 CD2 G:LEU104 4.4 32.1 1.0 O G:THR135 4.5 28.3 1.0 O G:ASP134 4.5 25.7 1.0 F25 A:ZLL301 4.5 57.4 1.0 C G:THR135 4.6 29.1 1.0 CG A:LEU170 4.6 41.4 1.0 C18 A:ZLL301 4.6 74.1 1.0 C G:ASP134 4.7 23.5 1.0 CE1 G:TYR138 4.8 40.0 1.0 CA G:TYR138 4.8 33.9 1.0 CZ G:TYR138 4.8 40.7 1.0

Fluorine binding site 2 out of 28 in the Crystal Structure of Human Clpp in Complex with ZK53


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Clpp in Complex with ZK53 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:57.4 occ:1.00 F25 A:ZLL301 0.0 57.4 1.0 C23 A:ZLL301 1.3 68.3 1.0 C24 A:ZLL301 2.2 61.2 1.0 C22 A:ZLL301 2.3 55.0 1.0 C19 A:ZLL301 3.4 69.5 1.0 C21 A:ZLL301 3.4 75.1 1.0 CG2 G:ILE100 3.6 29.9 1.0 CD2 A:TYR118 3.7 28.6 1.0 CE2 A:TYR118 3.8 26.4 1.0 CG1 A:VAL148 3.8 41.6 1.0 C20 A:ZLL301 3.9 64.9 1.0 CG A:TYR118 4.0 27.3 1.0 CB A:VAL148 4.0 42.0 1.0 CZ A:TYR118 4.2 27.9 1.0 CG2 A:VAL148 4.2 46.6 1.0 CD1 A:TYR118 4.4 25.2 1.0 CD1 G:LEU104 4.5 35.8 1.0 CE1 A:TYR118 4.5 27.8 1.0 F26 A:ZLL301 4.5 64.4 1.0 CB A:TYR118 4.6 28.1 1.0 C18 A:ZLL301 4.7 74.1 1.0 OG1 G:THR135 4.7 28.2 1.0 CD1 A:LEU170 4.8 47.3 1.0 CD1 G:ILE100 4.8 30.7 1.0 OH A:TYR118 4.9 23.4 1.0 CB G:ILE100 4.9 28.2 1.0

Fluorine binding site 3 out of 28 in the Crystal Structure of Human Clpp in Complex with ZK53


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Clpp in Complex with ZK53 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:55.4 occ:1.00 F26 A:ZLL302 0.0 55.4 1.0 C21 A:ZLL302 1.3 72.0 1.0 C20 A:ZLL302 2.2 67.3 1.0 C22 A:ZLL302 2.2 69.6 1.0 CG A:TYR138 3.2 31.6 1.0 CB A:TYR138 3.2 29.1 1.0 CD2 A:TYR138 3.4 32.6 1.0 C19 A:ZLL302 3.4 68.8 1.0 C23 A:ZLL302 3.4 70.7 1.0 CA A:THR135 3.6 23.6 1.0 CD1 B:LEU170 3.7 44.9 1.0 OG1 A:THR135 3.8 24.8 1.0 C24 A:ZLL302 3.9 68.6 1.0 CD1 A:TYR138 3.9 32.9 1.0 CG2 A:THR135 3.9 27.0 1.0 CD2 B:LEU170 3.9 39.1 1.0 CB A:THR135 4.0 24.8 1.0 CE2 A:TYR138 4.2 34.1 1.0 N A:THR135 4.3 21.9 1.0 O A:ASP134 4.4 25.7 1.0 CG B:LEU170 4.4 38.6 1.0 O A:THR135 4.5 23.1 1.0 CD2 A:LEU104 4.5 31.0 1.0 F25 A:ZLL302 4.5 63.1 1.0 CE1 A:TYR138 4.6 34.7 1.0 C A:THR135 4.6 24.7 1.0 C18 A:ZLL302 4.6 69.8 1.0 CA A:TYR138 4.7 27.8 1.0 C A:ASP134 4.7 24.6 1.0 CZ A:TYR138 4.7 34.6 1.0

Fluorine binding site 4 out of 28 in the Crystal Structure of Human Clpp in Complex with ZK53


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Human Clpp in Complex with ZK53 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:63.1 occ:1.00 F25 A:ZLL302 0.0 63.1 1.0 C23 A:ZLL302 1.3 70.7 1.0 C22 A:ZLL302 2.2 69.6 1.0 C24 A:ZLL302 2.3 68.6 1.0 C21 A:ZLL302 3.4 72.0 1.0 C19 A:ZLL302 3.4 68.8 1.0 CG2 A:ILE100 3.7 27.5 1.0 CG1 B:VAL148 3.8 42.4 1.0 C20 A:ZLL302 3.9 67.3 1.0 CD2 B:TYR118 3.9 29.8 1.0 CB B:VAL148 3.9 41.7 1.0 CE2 B:TYR118 4.0 34.8 1.0 CG2 B:VAL148 4.1 47.2 1.0 CG B:TYR118 4.2 29.2 1.0 CZ B:TYR118 4.3 36.4 1.0 CD1 A:LEU104 4.5 32.3 1.0 F26 A:ZLL302 4.5 55.4 1.0 CD1 B:TYR118 4.5 29.0 1.0 OG1 A:THR135 4.6 24.8 1.0 CE1 B:TYR118 4.6 33.3 1.0 CD1 B:LEU170 4.7 44.9 1.0 C18 A:ZLL302 4.7 69.8 1.0 CB B:TYR118 4.8 29.2 1.0 CD1 A:ILE100 4.9 27.6 1.0 OH B:TYR118 5.0 35.9 1.0 CB A:ILE100 5.0 27.3 1.0

Fluorine binding site 5 out of 28 in the Crystal Structure of Human Clpp in Complex with ZK53


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Human Clpp in Complex with ZK53 within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:54.8 occ:1.00 F26 C:ZLL301 0.0 54.8 1.0 C21 C:ZLL301 1.3 72.9 1.0 C20 C:ZLL301 2.2 67.3 1.0 C22 C:ZLL301 2.3 74.3 1.0 CB B:TYR138 3.2 31.5 1.0 CG B:TYR138 3.2 30.9 1.0 CD2 B:TYR138 3.4 38.1 1.0 C19 C:ZLL301 3.4 71.2 1.0 C23 C:ZLL301 3.4 73.7 1.0 CA B:THR135 3.5 25.4 1.0 OG1 B:THR135 3.7 25.5 1.0 CG2 B:THR135 3.7 24.4 1.0 CB B:THR135 3.9 23.9 1.0 C24 C:ZLL301 3.9 68.7 1.0 CD1 B:TYR138 4.0 33.9 1.0 CD1 C:LEU170 4.0 41.0 1.0 CE2 B:TYR138 4.2 37.9 1.0 N B:THR135 4.3 24.7 1.0 O B:THR135 4.4 26.1 1.0 CD2 B:LEU104 4.4 35.7 1.0 O B:ASP134 4.4 27.9 1.0 C B:THR135 4.5 27.1 1.0 F25 C:ZLL301 4.5 58.2 1.0 CG C:LEU170 4.6 39.5 1.0 C18 C:ZLL301 4.7 73.9 1.0 CA B:TYR138 4.7 29.2 1.0 C B:ASP134 4.7 28.2 1.0 CE1 B:TYR138 4.7 38.6 1.0 CZ B:TYR138 4.8 37.2 1.0 CD2 C:LEU170 4.9 44.4 1.0

Fluorine binding site 6 out of 28 in the Crystal Structure of Human Clpp in Complex with ZK53


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Human Clpp in Complex with ZK53 within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:58.2 occ:1.00 F25 C:ZLL301 0.0 58.2 1.0 C23 C:ZLL301 1.3 73.7 1.0 C24 C:ZLL301 2.2 68.7 1.0 C22 C:ZLL301 2.2 74.3 1.0 CG1 C:VAL148 3.3 47.4 1.0 C19 C:ZLL301 3.4 71.2 1.0 C21 C:ZLL301 3.4 72.9 1.0 CG2 B:ILE100 3.6 30.2 1.0 CD2 C:TYR118 3.7 30.5 1.0 CE2 C:TYR118 3.8 32.9 1.0 C20 C:ZLL301 3.8 67.3 1.0 CG2 C:VAL148 3.9 42.5 1.0 CG C:TYR118 4.0 28.8 1.0 CB C:VAL148 4.1 42.2 1.0 CZ C:TYR118 4.2 31.8 1.0 CD1 B:LEU104 4.3 37.8 1.0 CD1 C:TYR118 4.4 28.1 1.0 CE1 C:TYR118 4.5 32.5 1.0 F26 C:ZLL301 4.5 54.8 1.0 OG1 B:THR135 4.6 25.5 1.0 C18 C:ZLL301 4.7 73.9 1.0 CB C:TYR118 4.7 26.9 1.0 OH C:TYR118 4.9 30.2 1.0 CD1 B:ILE100 4.9 34.4 1.0 CB B:ILE100 4.9 28.8 1.0

Fluorine binding site 7 out of 28 in the Crystal Structure of Human Clpp in Complex with ZK53


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Human Clpp in Complex with ZK53 within 5.0Å range: probe atom residue distance (Å) B Occ D:F301 b:49.4 occ:1.00 F26 D:ZLL301 0.0 49.4 1.0 C21 D:ZLL301 1.3 57.8 1.0 C22 D:ZLL301 2.2 53.9 1.0 C20 D:ZLL301 2.3 62.6 1.0 CB C:TYR138 3.1 30.9 1.0 CG C:TYR138 3.2 31.4 1.0 C23 D:ZLL301 3.4 63.3 1.0 C19 D:ZLL301 3.4 63.2 1.0 CA C:THR135 3.5 21.0 1.0 CD1 D:LEU170 3.5 39.1 1.0 CD1 C:TYR138 3.6 30.1 1.0 OG1 C:THR135 3.7 20.4 1.0 CD2 C:TYR138 3.8 38.5 1.0 C24 D:ZLL301 3.8 58.9 1.0 CG2 C:THR135 3.9 20.9 1.0 CB C:THR135 3.9 20.2 1.0 CD2 D:LEU170 3.9 38.9 1.0 N C:THR135 4.2 17.3 1.0 O C:ASP134 4.2 22.9 1.0 CG D:LEU170 4.3 35.7 1.0 CE1 C:TYR138 4.4 36.8 1.0 O C:THR135 4.4 22.6 1.0 F25 D:ZLL301 4.5 56.4 1.0 C C:THR135 4.5 22.1 1.0 C C:ASP134 4.5 18.9 1.0 CE2 C:TYR138 4.6 40.7 1.0 CA C:TYR138 4.6 29.1 1.0 CD2 C:LEU104 4.7 31.3 1.0 C18 D:ZLL301 4.7 66.5 1.0 CZ C:TYR138 4.8 39.2 1.0

Fluorine binding site 8 out of 28 in the Crystal Structure of Human Clpp in Complex with ZK53


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Human Clpp in Complex with ZK53 within 5.0Å range: probe atom residue distance (Å) B Occ D:F301 b:56.4 occ:1.00 F25 D:ZLL301 0.0 56.4 1.0 C23 D:ZLL301 1.3 63.3 1.0 C22 D:ZLL301 2.2 53.9 1.0 C24 D:ZLL301 2.3 58.9 1.0 CG1 D:VAL148 3.4 47.6 1.0 C21 D:ZLL301 3.4 57.8 1.0 C19 D:ZLL301 3.4 63.2 1.0 CG2 C:ILE100 3.5 22.9 1.0 CD2 D:TYR118 3.8 29.9 1.0 CE2 D:TYR118 3.8 28.9 1.0 C20 D:ZLL301 3.9 62.6 1.0 CG2 D:VAL148 4.0 36.7 1.0 CG D:TYR118 4.2 26.4 1.0 CZ D:TYR118 4.2 30.4 1.0 CB D:VAL148 4.2 38.1 1.0 CD1 C:LEU104 4.2 33.3 1.0 F26 D:ZLL301 4.5 49.4 1.0 CD1 D:TYR118 4.5 29.7 1.0 OG1 C:THR135 4.5 20.4 1.0 CE1 D:TYR118 4.5 32.9 1.0 C18 D:ZLL301 4.7 66.5 1.0 OH D:TYR118 4.8 32.9 1.0 CB D:TYR118 4.8 25.7 1.0 CB C:ILE100 4.8 21.7 1.0 CD1 C:ILE100 4.8 26.9 1.0 CD1 D:LEU170 4.9 39.1 1.0

Fluorine binding site 9 out of 28 in the Crystal Structure of Human Clpp in Complex with ZK53


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Human Clpp in Complex with ZK53 within 5.0Å range: probe atom residue distance (Å) B Occ E:F301 b:54.0 occ:1.00 F26 E:ZLL301 0.0 54.0 1.0 C21 E:ZLL301 1.3 58.7 1.0 C22 E:ZLL301 2.2 47.8 1.0 C20 E:ZLL301 2.3 51.0 1.0 CB D:TYR138 3.2 25.1 1.0 CG D:TYR138 3.2 29.7 1.0 C23 E:ZLL301 3.4 52.9 1.0 C19 E:ZLL301 3.4 53.9 1.0 CD1 D:TYR138 3.4 29.4 1.0 CA D:THR135 3.5 21.3 1.0 CG2 D:THR135 3.7 22.0 1.0 OG1 D:THR135 3.7 21.3 1.0 C24 E:ZLL301 3.9 49.9 1.0 CB D:THR135 3.9 21.8 1.0 CD1 E:LEU170 3.9 39.5 1.0 CD2 D:TYR138 3.9 33.6 1.0 CD2 E:LEU170 4.2 38.4 1.0 CE1 D:TYR138 4.2 32.2 1.0 O D:THR135 4.3 22.8 1.0 CD2 D:LEU104 4.3 32.0 1.0 N D:THR135 4.4 18.6 1.0 F25 E:ZLL301 4.4 45.0 1.0 O D:ASP134 4.4 21.1 1.0 C D:THR135 4.5 23.1 1.0 CE2 D:TYR138 4.6 34.7 1.0 CA D:TYR138 4.6 25.2 1.0 C18 E:ZLL301 4.7 64.7 1.0 CG E:LEU170 4.7 33.9 1.0 C D:ASP134 4.7 19.1 1.0 CZ D:TYR138 4.8 36.9 1.0

Fluorine binding site 10 out of 28 in the Crystal Structure of Human Clpp in Complex with ZK53


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Human Clpp in Complex with ZK53 within 5.0Å range: probe atom residue distance (Å) B Occ E:F301 b:45.0 occ:1.00 F25 E:ZLL301 0.0 45.0 1.0 C23 E:ZLL301 1.3 52.9 1.0 C22 E:ZLL301 2.2 47.8 1.0 C24 E:ZLL301 2.3 49.9 1.0 C21 E:ZLL301 3.3 58.7 1.0 C19 E:ZLL301 3.4 53.9 1.0 CG2 D:ILE100 3.7 21.5 1.0 CD2 E:TYR118 3.8 24.6 1.0 CE2 E:TYR118 3.8 25.5 1.0 C20 E:ZLL301 3.8 51.0 1.0 CG1 E:VAL148 4.0 38.7 1.0 CB E:VAL148 4.1 34.9 1.0 CG E:TYR118 4.1 23.8 1.0 CZ E:TYR118 4.2 28.0 1.0 CG2 E:VAL148 4.3 41.8 1.0 F26 E:ZLL301 4.4 54.0 1.0 CD1 D:LEU104 4.4 31.4 1.0 CD1 E:TYR118 4.5 24.9 1.0 CE1 E:TYR118 4.5 29.0 1.0 OG1 D:THR135 4.5 21.3 1.0 C18 E:ZLL301 4.7 64.7 1.0 CD1 E:LEU170 4.7 39.5 1.0 CD1 D:ILE100 4.8 24.4 1.0 OH E:TYR118 4.8 27.1 1.0 CB E:TYR118 4.8 22.4 1.0 CB D:ILE100 5.0 20.4 1.0

C.-G.Yang, J.H.Gan, L.-L.Zhou. Crystal Structure of Human Clpp in Complex with ZK53 To Be Published.