Atomistry » Antimony » PDB 1exi-4u5t » 2w0h
Atomistry »
  Antimony »
    PDB 1exi-4u5t »
      2w0h »

Antimony in PDB 2w0h: X Ray Structure of Leishmania Infantum Trypanothione Reductase in Complex with Antimony and Nadph

Enzymatic activity of X Ray Structure of Leishmania Infantum Trypanothione Reductase in Complex with Antimony and Nadph

All present enzymatic activity of X Ray Structure of Leishmania Infantum Trypanothione Reductase in Complex with Antimony and Nadph:
1.8.1.12;

Protein crystallography data

The structure of X Ray Structure of Leishmania Infantum Trypanothione Reductase in Complex with Antimony and Nadph, PDB code: 2w0h was solved by P.Baiocco, G.Colotti, S.Franceschini, A.Ilari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 103.14 / 3.00
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 102.945, 102.945, 193.129, 90.00, 90.00, 90.00
R / Rfree (%) 23.8 / 26.2

Antimony Binding Sites:

The binding sites of Antimony atom in the X Ray Structure of Leishmania Infantum Trypanothione Reductase in Complex with Antimony and Nadph (pdb code 2w0h). This binding sites where shown within 5.0 Angstroms radius around Antimony atom.
In total 2 binding sites of Antimony where determined in the X Ray Structure of Leishmania Infantum Trypanothione Reductase in Complex with Antimony and Nadph, PDB code: 2w0h:
Jump to Antimony binding site number: 1; 2;

Antimony binding site 1 out of 2 in 2w0h

Go back to Antimony Binding Sites List in 2w0h
Antimony binding site 1 out of 2 in the X Ray Structure of Leishmania Infantum Trypanothione Reductase in Complex with Antimony and Nadph


Mono view


Stereo pair view

A full contact list of Antimony with other atoms in the Sb binding site number 1 of X Ray Structure of Leishmania Infantum Trypanothione Reductase in Complex with Antimony and Nadph within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sb1487

b:55.4
occ:0.50
CB A:CYS57 2.4 59.8 1.0
SG A:CYS52 2.8 65.8 1.0
SG A:CYS57 3.0 60.5 1.0
OG1 A:THR335 3.0 69.5 1.0
ND1 B:HIS461 3.2 69.2 1.0
CB A:CYS52 3.3 65.1 1.0
CB A:THR335 3.6 70.0 1.0
CE1 B:HIS461 3.6 69.2 1.0
CA A:CYS52 3.7 65.0 1.0
CA A:CYS57 3.7 59.8 1.0
C10 A:FAD1486 3.7 55.6 1.0
N1 A:FAD1486 3.8 55.5 1.0
C4X A:FAD1486 3.8 55.5 1.0
C2 A:FAD1486 3.9 55.6 1.0
N A:CYS57 3.9 60.1 1.0
C4 A:FAD1486 4.0 55.5 1.0
N3 A:FAD1486 4.0 55.6 1.0
O2' A:FAD1486 4.1 58.5 1.0
CG2 A:THR335 4.2 69.8 1.0
C2' A:FAD1486 4.2 58.3 1.0
O A:CYS52 4.3 64.7 1.0
N10 A:FAD1486 4.3 55.9 1.0
C A:CYS52 4.4 64.7 1.0
CG B:HIS461 4.5 69.5 1.0
N5 A:FAD1486 4.5 55.5 1.0
O2 A:FAD1486 4.5 55.6 1.0
O4 A:FAD1486 4.6 55.7 1.0
C A:CYS57 4.6 59.4 1.0
N A:VAL58 4.7 58.8 1.0
N A:CYS52 4.8 65.4 1.0
NE2 B:HIS461 4.9 69.5 1.0
CA A:THR335 4.9 70.0 1.0
C1' A:FAD1486 4.9 57.0 1.0
C9A A:FAD1486 4.9 55.6 1.0
C5X A:FAD1486 5.0 55.5 1.0

Antimony binding site 2 out of 2 in 2w0h

Go back to Antimony Binding Sites List in 2w0h
Antimony binding site 2 out of 2 in the X Ray Structure of Leishmania Infantum Trypanothione Reductase in Complex with Antimony and Nadph


Mono view


Stereo pair view

A full contact list of Antimony with other atoms in the Sb binding site number 2 of X Ray Structure of Leishmania Infantum Trypanothione Reductase in Complex with Antimony and Nadph within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Sb1487

b:52.0
occ:0.50
CB B:CYS57 2.4 59.8 1.0
SG B:CYS52 2.9 65.7 1.0
OG1 B:THR335 2.9 69.6 1.0
SG B:CYS57 3.0 60.5 1.0
ND1 A:HIS461 3.1 68.9 1.0
CB B:CYS52 3.3 65.1 1.0
CB B:THR335 3.5 70.0 1.0
CE1 A:HIS461 3.5 68.8 1.0
N1 B:FAD1486 3.8 55.4 1.0
C10 B:FAD1486 3.8 55.5 1.0
CA B:CYS57 3.8 59.8 1.0
CA B:CYS52 3.8 65.0 1.0
C4X B:FAD1486 3.8 55.4 1.0
C2 B:FAD1486 3.8 55.5 1.0
O2' B:FAD1486 3.9 58.9 1.0
N3 B:FAD1486 3.9 55.5 1.0
C4 B:FAD1486 3.9 55.4 1.0
N B:CYS57 4.0 60.1 1.0
CG2 B:THR335 4.1 69.8 1.0
C2' B:FAD1486 4.2 58.5 1.0
CG A:HIS461 4.4 69.3 1.0
N10 B:FAD1486 4.4 55.8 1.0
O B:CYS52 4.4 64.7 1.0
O2 B:FAD1486 4.4 55.5 1.0
C B:CYS52 4.5 64.7 1.0
N5 B:FAD1486 4.5 55.5 1.0
O4 B:FAD1486 4.6 55.5 1.0
C B:CYS57 4.7 59.4 1.0
N B:VAL58 4.8 58.8 1.0
CA B:THR335 4.8 70.0 1.0
NE2 A:HIS461 4.8 69.0 1.0
CB A:HIS461 4.9 69.4 1.0
N B:CYS52 4.9 65.4 1.0
C1' B:FAD1486 5.0 57.2 1.0
C9A B:FAD1486 5.0 55.5 1.0

Reference:

P.Baiocco, G.Colotti, S.Franceschini, A.Ilari. Molecular Basis of Antimony Treatment in Leishmaniasis. J.Med.Chem. V. 52 2603 2009.
ISSN: ISSN 0022-2623
PubMed: 19317451
DOI: 10.1021/JM900185Q
Page generated: Wed Dec 16 02:09:17 2020

Last articles

Tb in 6TVY
Si in 6Y7O
Rh in 6WRM
Rh in 6WRL
Ni in 6Y8Z
Ni in 6Y8Y
Na in 6ZXZ
Na in 7ACG
Na in 6YLS
Na in 6Y8Z
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy