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Silver in PDB 2x50: Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex with Nadph and Silver

Enzymatic activity of Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex with Nadph and Silver

All present enzymatic activity of Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex with Nadph and Silver:
1.8.1.12;

Protein crystallography data

The structure of Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex with Nadph and Silver, PDB code: 2x50 was solved by P.Baiocco, A.Ilari, G.Colotti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 3.30
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 102.323, 102.323, 193.561, 90.00, 90.00, 90.00
R / Rfree (%) 22.928 / 26.452

Silver Binding Sites:

The binding sites of Silver atom in the Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex with Nadph and Silver (pdb code 2x50). This binding sites where shown within 5.0 Angstroms radius around Silver atom.
In total 4 binding sites of Silver where determined in the Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex with Nadph and Silver, PDB code: 2x50:
Jump to Silver binding site number: 1; 2; 3; 4;

Silver binding site 1 out of 4 in 2x50

Go back to Silver Binding Sites List in 2x50
Silver binding site 1 out of 4 in the Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex with Nadph and Silver


Mono view


Stereo pair view

A full contact list of Silver with other atoms in the Ag binding site number 1 of Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex with Nadph and Silver within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ag1489

b:83.7
occ:0.80
SG A:CYS57 2.3 50.3 1.0
SG A:CYS52 2.4 55.2 1.0
NE2 B:HIS461 2.7 76.9 1.0
CD2 B:HIS461 3.0 76.6 1.0
CB A:CYS52 3.1 54.6 1.0
CB A:CYS57 3.1 49.9 1.0
CE1 B:HIS461 3.4 76.8 1.0
OG1 A:THR335 3.4 67.1 1.0
O A:CYS52 3.6 54.4 1.0
CG2 A:THR335 3.6 67.2 1.0
CG B:HIS461 3.7 76.4 1.0
C A:CYS52 3.8 54.3 1.0
CA A:CYS52 3.9 54.6 1.0
ND1 B:HIS461 3.9 76.6 1.0
CB A:THR335 4.0 67.2 1.0
CG2 A:VAL58 4.2 49.3 1.0
CA A:CYS57 4.3 49.9 1.0
N A:VAL58 4.3 49.5 1.0
N A:CYS57 4.4 50.0 1.0
N A:VAL53 4.5 53.8 1.0
C A:CYS57 4.8 49.7 1.0
OG A:SER14 4.8 61.6 1.0
CB B:HIS461 4.8 76.2 1.0

Silver binding site 2 out of 4 in 2x50

Go back to Silver Binding Sites List in 2x50
Silver binding site 2 out of 4 in the Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex with Nadph and Silver


Mono view


Stereo pair view

A full contact list of Silver with other atoms in the Ag binding site number 2 of Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex with Nadph and Silver within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ag1490

b:95.5
occ:1.00
SG B:CYS444 1.8 70.5 1.0
SG A:CYS444 1.9 70.5 1.0
CB A:CYS444 3.2 70.2 1.0
CB B:CYS444 3.2 70.1 1.0
AG B:AG1491 3.3 79.9 0.5
O B:SER440 3.5 65.9 1.0
O A:SER440 3.6 65.9 1.0
CA A:CYS444 3.6 70.2 1.0
N A:CYS444 3.6 69.7 1.0
CA B:CYS444 3.6 70.2 1.0
N B:CYS444 3.6 69.7 1.0
C A:ILE443 4.3 69.2 1.0
C B:ILE443 4.4 69.2 1.0
CG2 B:ILE443 4.4 68.6 1.0
CB A:ILE443 4.4 68.7 1.0
CG2 A:ILE443 4.5 68.5 1.0
CB B:ILE443 4.5 68.7 1.0
CE A:MET447 4.5 72.8 1.0
SD A:MET447 4.7 72.7 1.0
C B:SER440 4.7 65.8 1.0
C A:SER440 4.7 65.8 1.0
SD B:MET447 4.8 72.7 1.0
O A:ILE443 4.9 69.2 1.0
CA A:ILE443 5.0 68.8 1.0

Silver binding site 3 out of 4 in 2x50

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Silver binding site 3 out of 4 in the Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex with Nadph and Silver


Mono view


Stereo pair view

A full contact list of Silver with other atoms in the Ag binding site number 3 of Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex with Nadph and Silver within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ag1490

b:88.2
occ:0.80
SG B:CYS52 2.0 54.9 1.0
SG B:CYS57 2.3 50.6 1.0
NE2 A:HIS461 2.7 77.0 1.0
CD2 A:HIS461 2.9 76.7 1.0
CB B:CYS57 3.0 50.1 1.0
CB B:CYS52 3.2 54.7 1.0
OG1 B:THR335 3.3 67.2 1.0
CE1 A:HIS461 3.3 76.9 1.0
CG A:HIS461 3.6 76.5 1.0
O B:CYS52 3.6 54.3 1.0
CG2 B:THR335 3.7 67.1 1.0
CA B:CYS52 3.8 54.6 1.0
C B:CYS52 3.8 54.3 1.0
ND1 A:HIS461 3.8 76.7 1.0
CB B:THR335 3.9 67.2 1.0
CA B:CYS57 4.1 50.0 1.0
CG2 B:VAL58 4.2 49.3 1.0
N B:VAL58 4.2 49.5 1.0
N B:CYS57 4.3 50.2 1.0
N B:VAL53 4.6 53.8 1.0
C B:CYS57 4.6 49.8 1.0
CB A:HIS461 4.7 76.3 1.0
OG B:SER14 4.8 61.5 1.0

Silver binding site 4 out of 4 in 2x50

Go back to Silver Binding Sites List in 2x50
Silver binding site 4 out of 4 in the Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex with Nadph and Silver


Mono view


Stereo pair view

A full contact list of Silver with other atoms in the Ag binding site number 4 of Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex with Nadph and Silver within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ag1491

b:79.9
occ:0.50
SD A:MET447 2.2 72.7 1.0
SD B:MET447 2.4 72.7 1.0
AG A:AG1490 3.3 95.5 1.0
CE A:MET447 3.3 72.8 1.0
SG A:CYS444 3.3 70.5 1.0
CE B:MET447 3.4 72.9 1.0
SG B:CYS444 3.4 70.5 1.0
CG A:MET447 3.5 72.6 1.0
CG B:MET447 3.5 72.6 1.0
CB B:MET447 3.6 72.5 1.0
CA B:CYS444 3.6 70.2 1.0
CB A:MET447 3.8 72.5 1.0
CB B:CYS444 3.9 70.1 1.0
CA A:CYS444 4.0 70.2 1.0
CB A:CYS444 4.2 70.2 1.0
N B:CYS444 4.4 69.7 1.0
O B:CYS444 4.4 70.5 1.0
C B:CYS444 4.5 70.4 1.0
O B:ILE443 4.6 69.3 1.0
C B:ILE443 4.8 69.2 1.0
O A:CYS444 4.8 70.5 1.0
N A:CYS444 4.8 69.7 1.0
CB B:ALA449 4.9 73.0 1.0
C A:CYS444 4.9 70.5 1.0
O A:ILE443 5.0 69.2 1.0
CB A:ALA449 5.0 73.1 1.0

Reference:

P.Baiocco, G.Colotti, A.Ilari. Inhibitory Effect of Silver Nanoparticles on Trypanothione Reductase Activity and Leishmania Infantum Proliferation Acs Med.Chem.Lett. V. 2 230 2011.
ISSN: ISSN 1948-5875
PubMed: 24900299
DOI: 10.1021/ML1002629
Page generated: Tue Oct 27 16:40:19 2020
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