Atomistry » Fluorine » PDB 5tbm-5tto » 5trg
Atomistry »
  Fluorine »
    PDB 5tbm-5tto »
      5trg »

Fluorine in PDB 5trg: Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2

Enzymatic activity of Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2

All present enzymatic activity of Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2:
3.4.25.1;

Protein crystallography data

The structure of Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2, PDB code: 5trg was solved by H.-C.Hsu, H.Fan, R.K.Singh, R.Wang, G.Sukenick, C.Nathan, G.Lin, H.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.53 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 120.045, 219.087, 137.894, 90.00, 104.87, 90.00
R / Rfree (%) 16 / 21.6

Fluorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Fluorine atom in the Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2 (pdb code 5trg). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 14 binding sites of Fluorine where determined in the Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2, PDB code: 5trg:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 14 in 5trg

Go back to Fluorine Binding Sites List in 5trg
Fluorine binding site 1 out of 14 in the Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:F301

b:62.0
occ:1.00
 F24 H:7HJ301 0.0 62.0 1.0
C23 H:7HJ301 1.3 52.6 1.0
C25 H:7HJ301 2.3 48.4 1.0
C22 H:7HJ301 2.4 44.5 1.0
C26 H:7HJ301 3.6 54.9 1.0
C21 H:7HJ301 3.6 49.6 1.0
O H:GLY97 4.1 56.0 1.0
C20 H:7HJ301 4.1 53.8 1.0
C39 H:7HJ301 4.5 39.4 1.0
CG2 H:THR48 4.5 38.1 1.0

Fluorine binding site 2 out of 14 in 5trg

Go back to Fluorine Binding Sites List in 5trg
Fluorine binding site 2 out of 14 in the Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F301

b:65.3
occ:1.00
 F24 I:7HJ301 0.0 65.3 1.0
C23 I:7HJ301 1.3 48.0 1.0
C22 I:7HJ301 2.3 51.0 1.0
C25 I:7HJ301 2.4 44.6 1.0
C21 I:7HJ301 3.6 46.3 1.0
C26 I:7HJ301 3.6 43.9 1.0
C20 I:7HJ301 4.1 41.8 1.0
O I:GLY97 4.3 45.2 1.0
OG1 I:THR48 4.5 36.7 1.0
C39 I:7HJ301 4.6 40.9 1.0
C40 I:7HJ301 5.0 45.5 1.0

Fluorine binding site 3 out of 14 in 5trg

Go back to Fluorine Binding Sites List in 5trg
Fluorine binding site 3 out of 14 in the Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
J:F301

b:55.1
occ:1.00
 F24 J:7HJ301 0.0 55.1 1.0
C23 J:7HJ301 1.3 41.7 1.0
C22 J:7HJ301 2.3 39.8 1.0
C25 J:7HJ301 2.4 38.5 1.0
C21 J:7HJ301 3.6 44.2 1.0
C26 J:7HJ301 3.6 43.5 1.0
C20 J:7HJ301 4.1 39.7 1.0
O J:GLY97 4.1 45.8 1.0
CG2 J:THR48 4.2 34.4 1.0
C41 J:7HJ301 4.5 47.2 1.0
C39 J:7HJ301 4.5 40.4 1.0
C40 J:7HJ301 4.7 46.2 1.0

Fluorine binding site 4 out of 14 in 5trg

Go back to Fluorine Binding Sites List in 5trg
Fluorine binding site 4 out of 14 in the Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F301

b:43.2
occ:1.00
 F24 K:7HJ301 0.0 43.2 1.0
C23 K:7HJ301 1.3 34.8 1.0
C25 K:7HJ301 2.3 31.6 1.0
C22 K:7HJ301 2.4 35.9 1.0
C26 K:7HJ301 3.6 33.0 1.0
C21 K:7HJ301 3.6 33.8 1.0
O K:GLY97 4.1 41.2 1.0
C20 K:7HJ301 4.1 31.7 1.0
C39 K:7HJ301 4.5 38.5 1.0
CB K:THR48 4.7 29.3 1.0
C40 K:7HJ301 4.9 47.0 1.0
OG1 K:THR48 4.9 45.4 1.0

Fluorine binding site 5 out of 14 in 5trg

Go back to Fluorine Binding Sites List in 5trg
Fluorine binding site 5 out of 14 in the Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:F301

b:56.7
occ:1.00
 F24 L:7HJ301 0.0 56.7 1.0
C23 L:7HJ301 1.3 53.0 1.0
C25 L:7HJ301 2.4 51.4 1.0
C22 L:7HJ301 2.4 49.6 1.0
C26 L:7HJ301 3.6 46.5 1.0
C21 L:7HJ301 3.6 49.6 1.0
O L:GLY97 3.8 52.9 1.0
C20 L:7HJ301 4.2 50.8 1.0
CG2 L:THR48 4.2 36.9 1.0
C39 L:7HJ301 4.5 44.5 1.0
C41 L:7HJ301 4.8 54.5 1.0
C40 L:7HJ301 4.8 50.0 1.0
C L:GLY97 4.9 41.7 1.0
CB L:THR48 5.0 40.1 1.0

Fluorine binding site 6 out of 14 in 5trg

Go back to Fluorine Binding Sites List in 5trg
Fluorine binding site 6 out of 14 in the Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
M:F301

b:68.3
occ:1.00
 F24 M:7HJ301 0.0 68.3 1.0
C23 M:7HJ301 1.3 54.7 1.0
C22 M:7HJ301 2.4 54.8 1.0
C25 M:7HJ301 2.4 52.8 1.0
C26 M:7HJ301 3.6 54.4 1.0
C21 M:7HJ301 3.6 46.4 1.0
O M:GLY97 3.9 45.8 1.0
CG2 M:THR48 4.0 34.3 1.0
C20 M:7HJ301 4.1 40.3 1.0
C39 M:7HJ301 4.6 39.1 1.0
CB M:THR48 5.0 28.6 1.0

Fluorine binding site 7 out of 14 in 5trg

Go back to Fluorine Binding Sites List in 5trg
Fluorine binding site 7 out of 14 in the Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
N:F301

b:49.1
occ:1.00
 F24 N:7HJ301 0.0 49.1 1.0
C23 N:7HJ301 1.3 39.0 1.0
C25 N:7HJ301 2.3 44.6 1.0
C22 N:7HJ301 2.3 31.8 1.0
C21 N:7HJ301 3.6 34.2 1.0
C26 N:7HJ301 3.6 41.1 1.0
C20 N:7HJ301 4.1 35.0 1.0
O N:GLY97 4.2 51.6 1.0
C39 N:7HJ301 4.3 35.9 1.0
OG1 N:THR48 4.5 37.5 1.0
C40 N:7HJ301 4.7 45.5 1.0
CG2 N:THR48 4.9 34.9 1.0

Fluorine binding site 8 out of 14 in 5trg

Go back to Fluorine Binding Sites List in 5trg
Fluorine binding site 8 out of 14 in the Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
V:F301

b:53.3
occ:1.00
 F24 V:7HJ301 0.0 53.3 1.0
C23 V:7HJ301 1.3 36.0 1.0
C25 V:7HJ301 2.4 32.2 1.0
C22 V:7HJ301 2.4 28.2 1.0
C26 V:7HJ301 3.6 34.4 1.0
C21 V:7HJ301 3.6 29.1 1.0
C20 V:7HJ301 4.1 31.5 1.0
O V:GLY97 4.3 40.9 1.0
CG2 V:THR48 4.4 34.7 1.0
C39 V:7HJ301 4.4 37.1 1.0
C40 V:7HJ301 5.0 44.8 1.0

Fluorine binding site 9 out of 14 in 5trg

Go back to Fluorine Binding Sites List in 5trg
Fluorine binding site 9 out of 14 in the Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
W:F301

b:52.0
occ:1.00
 F24 W:7HJ301 0.0 52.0 1.0
C23 W:7HJ301 1.3 37.7 1.0
C22 W:7HJ301 2.3 33.6 1.0
C25 W:7HJ301 2.3 37.6 1.0
C26 W:7HJ301 3.6 37.7 1.0
C21 W:7HJ301 3.6 33.1 1.0
O W:GLY97 4.0 46.3 1.0
C20 W:7HJ301 4.1 32.9 1.0
CG2 W:THR48 4.3 25.6 1.0
C39 W:7HJ301 4.3 38.9 1.0
C40 W:7HJ301 4.8 42.4 1.0
CB W:THR48 5.0 25.9 1.0

Fluorine binding site 10 out of 14 in 5trg

Go back to Fluorine Binding Sites List in 5trg
Fluorine binding site 10 out of 14 in the Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Structure of Mycobacterium Tuberculosis Proteasome in Complex with N, C-Capped Dipeptide Dplg-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
X:F301

b:56.4
occ:1.00
 F24 X:7HJ301 0.0 56.4 1.0
C23 X:7HJ301 1.3 59.5 1.0
C22 X:7HJ301 2.4 54.0 1.0
C25 X:7HJ301 2.4 51.7 1.0
C21 X:7HJ301 3.6 52.9 1.0
C26 X:7HJ301 3.6 45.2 1.0
O X:GLY97 3.9 40.7 1.0
C39 X:7HJ301 4.1 52.9 1.0
C20 X:7HJ301 4.2 48.7 1.0
OG1 X:THR48 4.4 40.4 1.0
C40 X:7HJ301 4.7 60.3 1.0
C X:GLY97 4.9 37.5 1.0

Reference:

H.C.Hsu, P.K.Singh, H.Fan, R.Wang, G.Sukenick, C.Nathan, G.Lin, H.Li. Structural Basis For the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium Tuberculosis Proteasome. Biochemistry V. 56 324 2017.
ISSN: ISSN 1520-4995
PubMed: 27976853
DOI: 10.1021/ACS.BIOCHEM.6B01107
Page generated: Thu Aug 1 15:22:50 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy