Chlorine in PDB 6n80: S. Aureus Clpp Bound to Anti-4A

Enzymatic activity of S. Aureus Clpp Bound to Anti-4A

All present enzymatic activity of S. Aureus Clpp Bound to Anti-4A:
3.4.21.92;

Protein crystallography data

The structure of S. Aureus Clpp Bound to Anti-4A, PDB code: 6n80 was solved by R.E.Lee, E.C.Griffith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.24 / 1.96
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 94.332, 126.115, 145.461, 90.00, 93.80, 90.00
R / Rfree (%) 17.1 / 20.1

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine atom in the S. Aureus Clpp Bound to Anti-4A (pdb code 6n80). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the S. Aureus Clpp Bound to Anti-4A, PDB code: 6n80:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in 6n80

Go back to Chlorine Binding Sites List in 6n80
Chlorine binding site 1 out of 14 in the S. Aureus Clpp Bound to Anti-4A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of S. Aureus Clpp Bound to Anti-4A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:86.4
occ:1.00
CL01 A:JT7301 0.0 86.4 1.0
C25 A:JT7301 1.8 45.5 1.0
C20 A:JT7301 2.7 43.7 1.0
C24 A:JT7301 2.8 41.3 1.0
N17 A:JT7301 3.0 31.9 1.0
C18 A:JT7301 3.0 41.9 1.0
O A:LEU126 3.1 30.8 1.0
O A:HOH480 3.2 45.4 1.0
CA A:GLY127 3.6 35.2 1.0
C14 A:JT7301 3.6 45.2 1.0
O A:HOH500 3.7 65.6 1.0
O19 A:JT7301 3.8 37.9 1.0
C12 A:JT7301 4.0 38.7 1.0
C21 A:JT7301 4.0 41.7 1.0
C13 A:JT7301 4.1 38.4 1.0
C23 A:JT7301 4.1 41.6 1.0
C A:LEU126 4.1 31.4 1.0
N A:GLY127 4.3 32.0 1.0
C15 A:JT7301 4.5 41.9 1.0
C16 A:JT7301 4.5 42.2 1.0
C22 A:JT7301 4.6 41.0 1.0
C A:GLY127 4.7 32.2 1.0
N A:GLY128 4.9 31.0 1.0

Chlorine binding site 2 out of 14 in 6n80

Go back to Chlorine Binding Sites List in 6n80
Chlorine binding site 2 out of 14 in the S. Aureus Clpp Bound to Anti-4A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of S. Aureus Clpp Bound to Anti-4A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:0.1
occ:1.00
CL01 B:JT7301 0.0 0.1 1.0
C25 B:JT7301 1.8 47.0 1.0
C20 B:JT7301 2.8 43.1 1.0
C24 B:JT7301 2.8 47.5 1.0
N17 B:JT7301 3.0 37.7 1.0
C18 B:JT7301 3.0 43.2 1.0
O B:HOH437 3.1 48.3 1.0
O B:LEU126 3.2 35.0 1.0
CA B:GLY127 3.5 31.2 1.0
C14 B:JT7301 3.7 41.4 1.0
O19 B:JT7301 3.9 39.2 1.0
C21 B:JT7301 4.1 40.0 1.0
C23 B:JT7301 4.1 45.6 1.0
C12 B:JT7301 4.1 38.1 1.0
C B:LEU126 4.1 35.3 1.0
C13 B:JT7301 4.2 39.4 1.0
N B:GLY127 4.3 34.1 1.0
C16 B:JT7301 4.5 36.8 1.0
C15 B:JT7301 4.5 44.3 1.0
C22 B:JT7301 4.6 41.8 1.0
C B:GLY127 4.7 37.1 1.0
N B:GLY128 4.8 35.4 1.0

Chlorine binding site 3 out of 14 in 6n80

Go back to Chlorine Binding Sites List in 6n80
Chlorine binding site 3 out of 14 in the S. Aureus Clpp Bound to Anti-4A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of S. Aureus Clpp Bound to Anti-4A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:90.5
occ:1.00
CL01 C:JT7301 0.0 90.5 1.0
C25 C:JT7301 1.8 44.8 1.0
C20 C:JT7301 2.8 40.1 1.0
C24 C:JT7301 2.8 43.5 1.0
N17 C:JT7301 3.0 30.4 1.0
C18 C:JT7301 3.0 39.0 1.0
O C:HOH484 3.1 45.8 1.0
O C:LEU126 3.2 28.7 1.0
CA C:GLY127 3.5 32.8 1.0
C14 C:JT7301 3.7 38.2 1.0
O19 C:JT7301 3.9 34.8 1.0
C12 C:JT7301 4.1 30.1 1.0
C21 C:JT7301 4.1 40.2 1.0
C23 C:JT7301 4.1 42.3 1.0
C13 C:JT7301 4.1 35.9 1.0
C C:LEU126 4.1 29.4 1.0
N C:GLY127 4.3 26.9 1.0
C22 C:JT7301 4.6 38.0 1.0
C15 C:JT7301 4.6 39.9 1.0
C16 C:JT7301 4.6 35.1 1.0
C C:GLY127 4.7 33.5 1.0
N C:GLY128 4.8 31.5 1.0

Chlorine binding site 4 out of 14 in 6n80

Go back to Chlorine Binding Sites List in 6n80
Chlorine binding site 4 out of 14 in the S. Aureus Clpp Bound to Anti-4A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of S. Aureus Clpp Bound to Anti-4A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:84.4
occ:1.00
CL01 D:JT7301 0.0 84.4 1.0
C25 D:JT7301 1.8 40.9 1.0
C24 D:JT7301 2.8 40.5 1.0
C20 D:JT7301 2.8 32.6 1.0
O D:HOH475 3.0 42.6 1.0
N17 D:JT7301 3.0 25.3 1.0
C18 D:JT7301 3.0 30.7 1.0
O D:LEU126 3.3 26.1 1.0
CA D:GLY127 3.5 25.3 1.0
C14 D:JT7301 3.7 33.2 1.0
O19 D:JT7301 3.9 26.1 1.0
C23 D:JT7301 4.1 38.2 1.0
C21 D:JT7301 4.1 33.9 1.0
C12 D:JT7301 4.1 26.3 1.0
C D:LEU126 4.2 26.8 1.0
C13 D:JT7301 4.2 29.8 1.0
N D:GLY127 4.4 24.5 1.0
C16 D:JT7301 4.5 34.3 1.0
C22 D:JT7301 4.6 32.3 1.0
C15 D:JT7301 4.6 37.2 1.0
C D:GLY127 4.7 30.2 1.0
N D:GLY128 4.7 27.2 1.0

Chlorine binding site 5 out of 14 in 6n80

Go back to Chlorine Binding Sites List in 6n80
Chlorine binding site 5 out of 14 in the S. Aureus Clpp Bound to Anti-4A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of S. Aureus Clpp Bound to Anti-4A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:88.6
occ:1.00
CL01 E:JT7301 0.0 88.6 1.0
C25 E:JT7301 1.8 38.4 1.0
C20 E:JT7301 2.8 30.4 1.0
C24 E:JT7301 2.8 38.3 1.0
O E:HOH481 2.9 43.8 1.0
N17 E:JT7301 3.0 26.1 1.0
C18 E:JT7301 3.0 34.9 1.0
O E:LEU126 3.1 25.3 1.0
CA E:GLY127 3.4 25.6 1.0
C14 E:JT7301 3.7 40.1 1.0
O19 E:JT7301 3.9 25.8 1.0
C E:LEU126 4.0 26.3 1.0
C12 E:JT7301 4.0 27.1 1.0
C21 E:JT7301 4.1 33.5 1.0
C23 E:JT7301 4.1 38.2 1.0
C13 E:JT7301 4.1 29.1 1.0
N E:GLY127 4.2 24.1 1.0
C15 E:JT7301 4.5 39.2 1.0
C16 E:JT7301 4.5 34.8 1.0
C E:GLY127 4.5 27.7 1.0
C22 E:JT7301 4.6 30.9 1.0
N E:GLY128 4.6 24.4 1.0
O E:HOH524 4.7 67.8 1.0

Chlorine binding site 6 out of 14 in 6n80

Go back to Chlorine Binding Sites List in 6n80
Chlorine binding site 6 out of 14 in the S. Aureus Clpp Bound to Anti-4A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of S. Aureus Clpp Bound to Anti-4A within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl301

b:88.2
occ:1.00
CL01 F:JT7301 0.0 88.2 1.0
C25 F:JT7301 1.8 43.2 1.0
C20 F:JT7301 2.7 34.9 1.0
C24 F:JT7301 2.8 41.1 1.0
C18 F:JT7301 3.0 32.4 1.0
N17 F:JT7301 3.0 27.0 1.0
O F:HOH466 3.1 42.8 1.0
O F:LEU126 3.3 25.6 1.0
CA F:GLY127 3.7 27.9 1.0
C14 F:JT7301 3.7 35.6 1.0
O19 F:JT7301 3.8 31.0 1.0
C21 F:JT7301 4.0 34.8 1.0
C23 F:JT7301 4.1 36.4 1.0
C12 F:JT7301 4.1 28.4 1.0
C13 F:JT7301 4.2 33.9 1.0
O F:HOH504 4.2 60.4 1.0
C F:LEU126 4.2 27.3 1.0
N F:GLY127 4.5 25.2 1.0
C16 F:JT7301 4.5 34.2 1.0
C22 F:JT7301 4.6 34.4 1.0
C15 F:JT7301 4.6 35.1 1.0
C F:GLY127 4.8 27.3 1.0
N F:GLY128 4.9 24.2 1.0

Chlorine binding site 7 out of 14 in 6n80

Go back to Chlorine Binding Sites List in 6n80
Chlorine binding site 7 out of 14 in the S. Aureus Clpp Bound to Anti-4A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of S. Aureus Clpp Bound to Anti-4A within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl301

b:87.2
occ:1.00
CL01 G:JT7301 0.0 87.2 1.0
C25 G:JT7301 1.8 41.2 1.0
C20 G:JT7301 2.7 39.1 1.0
C24 G:JT7301 2.8 39.1 1.0
N17 G:JT7301 3.0 32.4 1.0
C18 G:JT7301 3.0 35.8 1.0
O G:HOH459 3.1 45.9 1.0
O G:LEU126 3.1 28.5 1.0
CA G:GLY127 3.5 37.0 1.0
C14 G:JT7301 3.6 41.1 1.0
O19 G:JT7301 3.8 32.0 1.0
C12 G:JT7301 4.0 36.7 1.0
C21 G:JT7301 4.1 38.5 1.0
C G:LEU126 4.1 33.0 1.0
C23 G:JT7301 4.1 38.2 1.0
C13 G:JT7301 4.1 39.6 1.0
O G:HOH506 4.1 60.9 1.0
N G:GLY127 4.3 31.1 1.0
C16 G:JT7301 4.4 42.5 1.0
C15 G:JT7301 4.5 44.9 1.0
C22 G:JT7301 4.6 37.1 1.0
C G:GLY127 4.7 33.7 1.0
N G:GLY128 4.8 27.7 1.0

Chlorine binding site 8 out of 14 in 6n80

Go back to Chlorine Binding Sites List in 6n80
Chlorine binding site 8 out of 14 in the S. Aureus Clpp Bound to Anti-4A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of S. Aureus Clpp Bound to Anti-4A within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl301

b:86.3
occ:1.00
CL01 I:JT7301 0.0 86.3 1.0
C25 I:JT7301 1.8 46.6 1.0
C20 I:JT7301 2.8 42.9 1.0
C24 I:JT7301 2.8 46.8 1.0
O I:HOH452 2.9 46.5 1.0
C18 I:JT7301 3.1 40.5 1.0
N17 I:JT7301 3.1 37.5 1.0
O I:LEU126 3.3 29.5 1.0
CA I:GLY127 3.6 31.8 1.0
C14 I:JT7301 3.7 37.1 1.0
O19 I:JT7301 3.9 32.8 1.0
C21 I:JT7301 4.1 39.8 1.0
C23 I:JT7301 4.1 41.5 1.0
C12 I:JT7301 4.2 38.0 1.0
C13 I:JT7301 4.2 38.9 1.0
C I:LEU126 4.3 33.2 1.0
C16 I:JT7301 4.4 34.5 1.0
N I:GLY127 4.5 31.4 1.0
C22 I:JT7301 4.6 38.8 1.0
C15 I:JT7301 4.6 44.0 1.0
C I:GLY127 4.7 34.4 1.0
N I:GLY128 4.8 31.8 1.0

Chlorine binding site 9 out of 14 in 6n80

Go back to Chlorine Binding Sites List in 6n80
Chlorine binding site 9 out of 14 in the S. Aureus Clpp Bound to Anti-4A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of S. Aureus Clpp Bound to Anti-4A within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl301

b:80.9
occ:1.00
CL01 K:JT7301 0.0 80.9 1.0
C25 K:JT7301 1.8 42.3 1.0
C24 K:JT7301 2.8 36.1 1.0
C20 K:JT7301 2.8 31.1 1.0
O K:HOH481 3.0 48.8 1.0
N17 K:JT7301 3.0 27.2 1.0
C18 K:JT7301 3.1 35.4 1.0
O K:LEU126 3.1 26.5 1.0
CA K:GLY127 3.5 29.1 1.0
C14 K:JT7301 3.7 33.9 1.0
O19 K:JT7301 4.0 29.9 1.0
C23 K:JT7301 4.1 35.6 1.0
C21 K:JT7301 4.1 36.3 1.0
C K:LEU126 4.1 26.7 1.0
C12 K:JT7301 4.1 28.5 1.0
C13 K:JT7301 4.1 29.6 1.0
N K:GLY127 4.3 28.2 1.0
O K:HOH507 4.4 53.9 1.0
C16 K:JT7301 4.5 31.4 1.0
C22 K:JT7301 4.6 32.4 1.0
C15 K:JT7301 4.6 34.9 1.0
C K:GLY127 4.7 29.4 1.0
N K:GLY128 4.8 31.4 1.0

Chlorine binding site 10 out of 14 in 6n80

Go back to Chlorine Binding Sites List in 6n80
Chlorine binding site 10 out of 14 in the S. Aureus Clpp Bound to Anti-4A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of S. Aureus Clpp Bound to Anti-4A within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl301

b:87.6
occ:1.00
CL01 L:JT7301 0.0 87.6 1.0
C25 L:JT7301 1.8 38.7 1.0
C20 L:JT7301 2.7 32.2 1.0
C24 L:JT7301 2.8 41.5 1.0
N17 L:JT7301 3.0 25.1 1.0
O L:HOH508 3.0 48.7 1.0
C18 L:JT7301 3.0 34.5 1.0
O L:LEU126 3.2 28.1 1.0
CA L:GLY127 3.5 25.7 1.0
C14 L:JT7301 3.7 33.0 1.0
O19 L:JT7301 3.9 27.6 1.0
C21 L:JT7301 4.1 34.9 1.0
C23 L:JT7301 4.1 34.7 1.0
C12 L:JT7301 4.1 26.9 1.0
C L:LEU126 4.2 24.8 1.0
C13 L:JT7301 4.2 25.2 1.0
N L:GLY127 4.4 24.9 1.0
C16 L:JT7301 4.5 31.9 1.0
C22 L:JT7301 4.6 33.0 1.0
C L:GLY127 4.6 29.3 1.0
C15 L:JT7301 4.7 40.1 1.0
N L:GLY128 4.7 24.8 1.0

Reference:

J.Tan, J.J.Grouleff, Y.Jitkova, D.B.Diaz, E.C.Griffith, W.Shao, A.F.Bogdanchikova, G.Poda, A.D.Schimmer, R.E.Lee, A.K.Yudin. De Novo Design of Boron-Based Peptidomimetics As Potent Inhibitors of Human Clpp in the Presence of Human Clpx. J.Med.Chem. V. 62 6377 2019.
ISSN: ISSN 0022-2623
PubMed: 31187989
DOI: 10.1021/ACS.JMEDCHEM.9B00878
Page generated: Sat Dec 12 13:22:57 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy