Atomistry » Calcium » PDB 8uf5-8v8a » 8uqv
Atomistry »
  Calcium »
    PDB 8uf5-8v8a »
      8uqv »

Calcium in PDB 8uqv: Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound

Calcium Binding Sites:

The binding sites of Calcium atom in the Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound (pdb code 8uqv). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound, PDB code: 8uqv:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 8uqv

Go back to Calcium Binding Sites List in 8uqv
Calcium binding site 1 out of 4 in the Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca603

b:41.5
occ:1.00
OD2 A:ASP208 2.3 36.7 1.0
O A:LEU243 2.3 39.0 1.0
OD1 A:ASP208 2.5 36.7 1.0
CG A:ASP208 2.6 36.7 1.0
O A:TYR242 2.9 40.3 1.0
OE1 A:GLU245 3.0 42.1 1.0
C A:LEU243 3.3 39.0 1.0
OE2 A:GLU245 3.5 42.1 1.0
CD A:GLU245 3.5 42.1 1.0
NE1 A:TRP199 3.7 37.8 1.0
CA A:LEU243 3.9 39.0 1.0
CB A:ASP208 3.9 36.7 1.0
C A:TYR242 4.0 40.3 1.0
CD1 A:TRP199 4.1 37.8 1.0
OD1 A:ASN140 4.1 40.5 1.0
O A:LEU209 4.3 34.5 1.0
N A:PHE244 4.4 39.6 1.0
N A:LEU243 4.4 39.0 1.0
CA A:PHE244 4.8 39.6 1.0
CG A:GLU245 4.8 42.1 1.0
CG A:ASN140 4.9 40.5 1.0
CE2 A:TRP199 5.0 37.8 1.0
C A:PHE244 5.0 39.6 1.0

Calcium binding site 2 out of 4 in 8uqv

Go back to Calcium Binding Sites List in 8uqv
Calcium binding site 2 out of 4 in the Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca603

b:40.7
occ:1.00
OE2 B:GLU245 2.6 50.0 1.0
OD2 B:ASP208 3.1 41.0 1.0
O B:TYR242 3.2 46.0 1.0
OE1 B:GLU245 3.2 50.0 1.0
CD B:GLU245 3.3 50.0 1.0
O B:LEU209 3.6 37.4 1.0
CB B:ASP208 3.6 41.0 1.0
OD1 B:ASN140 3.7 41.7 1.0
CG B:ASP208 3.7 41.0 1.0
C B:TYR242 4.4 46.0 1.0
NE1 B:TRP199 4.6 42.2 1.0
CA B:LEU243 4.6 44.5 1.0
O B:LEU243 4.6 44.5 1.0
CD1 B:TRP199 4.6 42.2 1.0
C B:LEU243 4.6 44.5 1.0
CD2 B:TYR211 4.6 40.4 1.0
CA B:ASP208 4.7 41.0 1.0
C B:LEU209 4.7 37.4 1.0
OD1 B:ASP208 4.7 41.0 1.0
CG B:GLU245 4.8 50.0 1.0
C B:ASP208 4.8 41.0 1.0
CG B:ASN140 4.8 41.7 1.0
N B:LEU209 4.9 37.4 1.0
N B:LEU243 4.9 44.5 1.0
O B:ASN140 5.0 41.7 1.0

Calcium binding site 3 out of 4 in 8uqv

Go back to Calcium Binding Sites List in 8uqv
Calcium binding site 3 out of 4 in the Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca603

b:26.4
occ:1.00
OE2 C:GLU245 2.8 36.4 1.0
O C:TYR242 2.9 30.5 1.0
CB C:ASP208 3.3 30.0 1.0
OD1 C:ASN140 3.4 30.0 1.0
CG C:ASP208 3.7 30.0 1.0
OD2 C:ASP208 3.7 30.0 1.0
CD C:GLU245 3.8 36.4 1.0
C C:TYR242 4.1 30.5 1.0
O C:LEU209 4.2 30.0 1.0
CA C:LEU243 4.3 30.0 1.0
NE1 C:TRP199 4.4 30.0 1.0
CD1 C:TRP199 4.4 30.0 1.0
O C:LEU243 4.4 30.0 1.0
C C:LEU243 4.4 30.0 1.0
CG C:GLU245 4.5 36.4 1.0
CG C:ASN140 4.5 30.0 1.0
OD1 C:ASP208 4.5 30.0 1.0
CA C:ASP208 4.6 30.0 1.0
OE1 C:GLU245 4.6 36.4 1.0
N C:LEU243 4.7 30.0 1.0
C C:ASP208 4.8 30.0 1.0
N C:LEU209 5.0 30.0 1.0

Calcium binding site 4 out of 4 in 8uqv

Go back to Calcium Binding Sites List in 8uqv
Calcium binding site 4 out of 4 in the Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca603

b:36.0
occ:1.00
OE2 D:GLU245 2.3 36.6 1.0
ND2 D:ASN140 2.4 32.8 1.0
O D:LEU243 2.5 31.7 1.0
OE1 D:GLU245 2.5 36.6 1.0
CD D:GLU245 2.6 36.6 1.0
OD1 D:ASN140 2.7 32.8 1.0
CG D:ASN140 2.9 32.8 1.0
OD2 D:ASP208 3.1 32.5 1.0
O D:TYR242 3.1 33.9 1.0
C D:LEU243 3.5 31.7 1.0
CG D:GLU245 3.8 36.6 1.0
O D:LEU209 3.9 30.0 1.0
CG D:ASP208 3.9 32.5 1.0
CB D:ASP208 4.0 32.5 1.0
CA D:LEU243 4.0 31.7 1.0
C D:TYR242 4.2 33.9 1.0
CB D:ASN140 4.4 32.8 1.0
N D:PHE244 4.6 32.6 1.0
N D:LEU243 4.6 31.7 1.0
NE1 D:TRP199 4.8 32.2 1.0
C D:LEU209 4.9 30.0 1.0
N D:GLU245 4.9 36.6 1.0
CB D:GLU245 4.9 36.6 1.0
CA D:PHE244 5.0 32.6 1.0
N D:LEU209 5.0 30.0 1.0

Reference:

K.Kalera, R.Liu, J.Lim, R.Pathirage, D.H.Swanson, U.G.Johnson, A.I.Stothard, J.J.Lee, A.W.Poston, P.J.Woodruff, D.R.Ronning, H.Eoh, B.M.Swarts. Targeting Mycobacterium Tuberculosis Persistence Through Inhibition of the Trehalose Catalytic Shift To Be Published.
Page generated: Fri Jul 19 12:15:47 2024

Last articles

Mg in 4Y52
Mg in 4Y30
Mg in 4Y2V
Mg in 4Y2X
Mg in 4Y2Y
Mg in 4Y2U
Mg in 4Y2T
Mg in 4Y2Q
Mg in 4Y2R
Mg in 4Y2S
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy