Atomistry » Fluorine » PDB 3wyl-460d » 3zs0
Atomistry »
  Fluorine »
    PDB 3wyl-460d »
      3zs0 »

Fluorine in PDB 3zs0: Human Myeloperoxidase Inactivated By TX2

Enzymatic activity of Human Myeloperoxidase Inactivated By TX2

All present enzymatic activity of Human Myeloperoxidase Inactivated By TX2:
1.11.2.2;

Protein crystallography data

The structure of Human Myeloperoxidase Inactivated By TX2, PDB code: 3zs0 was solved by A.K.Tiden, T.Sjogren, M.Svensson, A.Bernlind, R.Senthilmohan, F.Auchere, H.Norman, P.O.Markgren, S.Gustavsson, S.Schmidt, S.Lundquist, L.V.Forbes, N.J.Magon, G.N.Jameson, H.Eriksson, A.J.Kettle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 93.905, 64.111, 111.452, 90.00, 97.12, 90.00
R / Rfree (%) 17 / 20.7

Other elements in 3zs0:

The structure of Human Myeloperoxidase Inactivated By TX2 also contains other interesting chemical elements:

Iron (Fe) 2 atoms
Calcium (Ca) 2 atoms
Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Myeloperoxidase Inactivated By TX2 (pdb code 3zs0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human Myeloperoxidase Inactivated By TX2, PDB code: 3zs0:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3zs0

Go back to Fluorine Binding Sites List in 3zs0
Fluorine binding site 1 out of 2 in the Human Myeloperoxidase Inactivated By TX2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Myeloperoxidase Inactivated By TX2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1579

b:29.2
occ:1.00
F19 C:ZS01579 0.0 29.2 1.0
C16 C:ZS01579 1.3 30.3 1.0
C15 C:ZS01579 2.4 30.6 1.0
C17 C:ZS01579 2.4 29.8 1.0
CE C:MET411 3.0 24.3 1.0
CB C:PRO145 3.6 13.3 1.0
C14 C:ZS01579 3.6 30.4 1.0
C18 C:ZS01579 3.6 30.0 1.0
O C:PRO145 3.9 12.3 1.0
CD1 C:LEU415 4.0 11.4 1.0
SD C:MET411 4.1 27.7 1.0
C C:PRO145 4.1 12.7 1.0
C13 C:ZS01579 4.1 31.2 1.0
CG C:GLU116 4.3 28.1 1.0
CD2 C:LEU415 4.3 11.3 1.0
CA C:PRO145 4.5 13.0 1.0
O A:HOH2099 4.5 13.0 1.0
CG C:PRO145 4.5 14.0 1.0
OE2 C:GLU116 4.5 32.8 1.0
N C:PHE146 4.6 12.1 1.0
CE1 C:PHE147 4.6 15.7 1.0
CD1 C:PHE147 4.7 15.0 1.0
CG C:LEU415 4.8 12.6 1.0
CD C:GLU116 4.8 31.4 1.0
CA C:PHE146 5.0 11.9 1.0

Fluorine binding site 2 out of 2 in 3zs0

Go back to Fluorine Binding Sites List in 3zs0
Fluorine binding site 2 out of 2 in the Human Myeloperoxidase Inactivated By TX2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Myeloperoxidase Inactivated By TX2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F1579

b:46.6
occ:1.00
F19 D:ZS01579 0.0 46.6 1.0
C16 D:ZS01579 1.3 45.9 1.0
C15 D:ZS01579 2.4 45.8 1.0
C17 D:ZS01579 2.4 45.5 1.0
O D:HOH2005 3.0 36.5 1.0
O D:PRO145 3.4 20.9 1.0
CB D:PRO145 3.6 21.8 1.0
C18 D:ZS01579 3.6 45.1 1.0
C14 D:ZS01579 3.6 45.6 1.0
CE D:MET411 3.8 38.0 1.0
C D:PRO145 3.9 20.6 1.0
CD2 D:LEU415 4.0 22.6 1.0
C13 D:ZS01579 4.1 45.6 1.0
CD1 D:LEU415 4.2 21.7 1.0
CA D:PRO145 4.4 21.5 1.0
CG D:PRO145 4.4 22.2 1.0
SD D:MET411 4.5 40.1 1.0
N D:PHE146 4.6 19.9 1.0
CE1 D:PHE147 4.7 25.2 1.0
OE1 D:GLU116 4.7 44.1 1.0
CD D:PRO145 4.7 21.8 1.0
CD1 D:PHE147 4.8 23.9 1.0
CG D:LEU415 4.8 22.3 1.0
O B:HOH2087 4.8 25.1 1.0
CA D:PHE146 4.9 19.6 1.0
N D:PRO145 5.0 22.1 1.0

Reference:

A.K.Tiden, T.Sjogren, M.Svensson, A.Bernlind, R.Senthilmohan, F.Auchere, H.Norman, P.O.Markgren, S.Gustavsson, S.Schmidt, S.Lundquist, L.V.Forbes, N.J.Magon, L.N.Paton, G.N.Jameson, H.Eriksson, A.J.Kettle. 2-Thioxanthines Are Mechanism-Based Inactivators of Myeloperoxidase That Block Oxidative Stress During Inflammation. J.Biol.Chem. V. 286 37578 2011.
ISSN: ISSN 0021-9258
PubMed: 21880720
DOI: 10.1074/JBC.M111.266981
Page generated: Sun Dec 13 11:58:17 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy