Atomistry » Fluorine » PDB 3dv3-3ev4 » 3e6o
Atomistry »
  Fluorine »
    PDB 3dv3-3ev4 »
      3e6o »

Fluorine in PDB 3e6o: Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355

Enzymatic activity of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355

All present enzymatic activity of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355:
1.14.13.39;

Protein crystallography data

The structure of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355, PDB code: 3e6o was solved by E.D.Garcin, A.S.Arvai, R.J.Rosenfeld, M.D.Kroeger, B.R.Crane, G.Andersson, G.Andrews, P.J.Hamley, P.R.Mallinder, D.J.Nicholls, S.A.St-Gallay, A.C.Tinker, N.P.Gensmantel, A.Mete, D.R.Cheshire, S.Connolly, D.J.Stueh, A.Aberg, A.V.Wallace, J.A.Tainer, E.D.Getzoff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.96 / 2.60
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 213.898, 213.898, 116.148, 90.00, 90.00, 120.00
R / Rfree (%) 22.9 / 26.2

Other elements in 3e6o:

The structure of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355 also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355 (pdb code 3e6o). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355, PDB code: 3e6o:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 3e6o

Go back to Fluorine Binding Sites List in 3e6o
Fluorine binding site 1 out of 4 in the Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F903

b:32.2
occ:1.00
F27 A:A55903 0.0 32.2 1.0
C3 A:A55903 1.3 30.6 1.0
C4 A:A55903 2.3 30.7 1.0
C2 A:A55903 2.4 29.4 1.0
N7 A:A55903 2.7 31.5 1.0
CG2 A:VAL346 2.9 40.2 1.0
C4D A:HEM901 3.2 27.6 1.0
C3D A:HEM901 3.3 26.4 1.0
ND A:HEM901 3.3 27.5 1.0
C1D A:HEM901 3.4 27.1 1.0
CBD A:HEM901 3.4 26.0 1.0
C2D A:HEM901 3.4 25.7 1.0
CE1 A:PHE363 3.4 31.9 1.0
C5 A:A55903 3.7 30.6 1.0
C1 A:A55903 3.7 29.4 1.0
CHA A:HEM901 3.7 28.6 1.0
CB A:VAL346 3.8 39.8 1.0
CAD A:HEM901 3.9 26.3 1.0
CHD A:HEM901 4.0 26.0 1.0
C8 A:A55903 4.1 33.1 1.0
C6 A:A55903 4.2 30.5 1.0
CD1 A:PHE363 4.2 32.5 1.0
CMD A:HEM901 4.2 25.6 1.0
C16 A:A55903 4.3 37.3 1.0
C1A A:HEM901 4.3 28.9 1.0
CZ A:PHE363 4.4 31.6 1.0
O A:HOH1003 4.4 59.6 1.0
FE A:HEM901 4.5 29.8 1.0
NA A:HEM901 4.5 27.2 1.0
C4C A:HEM901 4.6 24.7 1.0
CG1 A:VAL346 4.7 40.8 1.0
NC A:HEM901 4.7 24.8 1.0
CGD A:HEM901 4.7 28.5 1.0
N A:VAL346 4.9 39.0 1.0
C10 A:A55903 4.9 29.8 1.0
CA A:VAL346 4.9 39.4 1.0

Fluorine binding site 2 out of 4 in 3e6o

Go back to Fluorine Binding Sites List in 3e6o
Fluorine binding site 2 out of 4 in the Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F903

b:32.6
occ:1.00
F12 A:A55903 0.0 32.6 1.0
C6 A:A55903 1.3 30.5 1.0
C5 A:A55903 2.4 30.6 1.0
C1 A:A55903 2.4 29.4 1.0
N11 A:A55903 2.7 28.9 1.0
C10 A:A55903 3.0 29.8 1.0
CA A:GLY365 3.1 34.0 1.0
N A:TRP366 3.1 35.9 1.0
N A:GLY365 3.1 33.7 1.0
C A:GLY365 3.1 35.3 1.0
O A:TRP366 3.2 34.8 1.0
CG A:PRO344 3.3 33.5 1.0
NB A:HEM901 3.6 25.3 1.0
C1B A:HEM901 3.7 26.2 1.0
C4 A:A55903 3.7 30.7 1.0
O A:PRO344 3.7 36.4 1.0
C2 A:A55903 3.7 29.4 1.0
C4B A:HEM901 3.8 26.5 1.0
C A:TRP366 3.8 33.5 1.0
O A:GLY365 3.9 35.9 1.0
CB A:PRO344 3.9 33.6 1.0
CA A:TRP366 3.9 34.6 1.0
C2B A:HEM901 4.0 26.5 1.0
CHB A:HEM901 4.0 26.2 1.0
C3B A:HEM901 4.0 26.9 1.0
C3 A:A55903 4.2 30.6 1.0
N9 A:A55903 4.3 30.0 1.0
C A:ASN364 4.3 33.5 1.0
CHC A:HEM901 4.4 24.8 1.0
C4A A:HEM901 4.4 28.2 1.0
C A:PRO344 4.5 36.2 1.0
NA A:HEM901 4.6 27.2 1.0
CD A:PRO344 4.7 34.2 1.0
FE A:HEM901 4.7 29.8 1.0
CAB A:HEM901 4.7 27.4 1.0
N7 A:A55903 4.8 31.5 1.0
CA A:PRO344 4.8 35.1 1.0
CMB A:HEM901 4.8 26.8 1.0
CA A:ASN364 4.8 32.7 1.0
N A:TYR367 4.9 32.8 1.0
C1C A:HEM901 4.9 25.5 1.0
C8 A:A55903 5.0 33.1 1.0

Fluorine binding site 3 out of 4 in 3e6o

Go back to Fluorine Binding Sites List in 3e6o
Fluorine binding site 3 out of 4 in the Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F904

b:31.2
occ:1.00
F27 B:A55904 0.0 31.2 1.0
C3 B:A55904 1.3 28.6 1.0
C4 B:A55904 2.3 29.0 1.0
C2 B:A55904 2.4 26.9 1.0
N7 B:A55904 2.7 30.7 1.0
CG2 B:VAL346 2.8 34.5 1.0
C4D B:HEM1901 3.2 25.4 1.0
ND B:HEM1901 3.3 25.8 1.0
C3D B:HEM1901 3.4 24.3 1.0
C1D B:HEM1901 3.4 26.4 1.0
CBD B:HEM1901 3.4 24.8 1.0
CE1 B:PHE363 3.4 29.5 1.0
C2D B:HEM1901 3.5 24.2 1.0
C5 B:A55904 3.6 26.8 1.0
C1 B:A55904 3.7 25.9 1.0
CHA B:HEM1901 3.7 25.5 1.0
CB B:VAL346 3.9 35.9 1.0
CAD B:HEM1901 4.0 24.8 1.0
C8 B:A55904 4.0 31.1 1.0
CHD B:HEM1901 4.1 26.1 1.0
C6 B:A55904 4.2 26.8 1.0
C16 B:A55904 4.2 35.5 1.0
C1A B:HEM1901 4.3 24.9 1.0
O B:HOH1904 4.3 41.9 1.0
CD1 B:PHE363 4.3 30.4 1.0
CZ B:PHE363 4.3 27.9 1.0
CMD B:HEM1901 4.4 24.6 1.0
FE B:HEM1901 4.5 27.3 1.0
NA B:HEM1901 4.5 23.8 1.0
C4C B:HEM1901 4.7 25.1 1.0
CGD B:HEM1901 4.8 27.6 1.0
NC B:HEM1901 4.8 24.6 1.0
CG1 B:VAL346 4.8 36.5 1.0
C10 B:A55904 4.8 26.2 1.0
N B:VAL346 4.9 33.9 1.0
N9 B:A55904 5.0 28.0 1.0

Fluorine binding site 4 out of 4 in 3e6o

Go back to Fluorine Binding Sites List in 3e6o
Fluorine binding site 4 out of 4 in the Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C124355 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F904

b:32.0
occ:1.00
F12 B:A55904 0.0 32.0 1.0
C6 B:A55904 1.3 26.8 1.0
C1 B:A55904 2.4 25.9 1.0
C5 B:A55904 2.4 26.8 1.0
N11 B:A55904 2.7 23.4 1.0
C10 B:A55904 3.0 26.2 1.0
N B:GLY365 3.0 29.6 1.0
CA B:GLY365 3.0 30.8 1.0
C B:GLY365 3.1 31.2 1.0
N B:TRP366 3.1 31.4 1.0
O B:TRP366 3.2 31.6 1.0
NB B:HEM1901 3.4 25.5 1.0
CG B:PRO344 3.5 30.5 1.0
C4B B:HEM1901 3.5 26.7 1.0
C1B B:HEM1901 3.5 26.0 1.0
C4 B:A55904 3.7 29.0 1.0
C2 B:A55904 3.7 26.9 1.0
O B:PRO344 3.8 33.2 1.0
C3B B:HEM1901 3.8 26.7 1.0
C2B B:HEM1901 3.8 27.1 1.0
O B:GLY365 3.9 30.8 1.0
C B:TRP366 3.9 31.5 1.0
CA B:TRP366 4.0 31.3 1.0
CHB B:HEM1901 4.0 24.6 1.0
CB B:PRO344 4.0 29.9 1.0
CHC B:HEM1901 4.1 27.2 1.0
C B:ASN364 4.1 29.3 1.0
C3 B:A55904 4.2 28.6 1.0
N9 B:A55904 4.3 28.0 1.0
C4A B:HEM1901 4.4 25.1 1.0
NA B:HEM1901 4.5 23.8 1.0
CAB B:HEM1901 4.5 27.6 1.0
FE B:HEM1901 4.5 27.3 1.0
C1C B:HEM1901 4.7 25.7 1.0
C B:PRO344 4.7 32.2 1.0
CA B:ASN364 4.7 29.1 1.0
CMB B:HEM1901 4.7 28.0 1.0
N7 B:A55904 4.8 30.7 1.0
CD B:PRO344 4.8 31.9 1.0
NC B:HEM1901 4.8 24.6 1.0
O B:ASN364 5.0 28.8 1.0
CA B:PRO344 5.0 31.7 1.0
C8 B:A55904 5.0 31.1 1.0

Reference:

E.D.Garcin, A.S.Arvai, R.J.Rosenfeld, M.D.Kroeger, B.R.Crane, G.Andersson, G.Andrews, P.J.Hamley, P.R.Mallinder, D.J.Nicholls, S.A.St-Gallay, A.C.Tinker, N.P.Gensmantel, A.Mete, D.R.Cheshire, S.Connolly, D.J.Stuehr, A.Aberg, A.V.Wallace, J.A.Tainer, E.D.Getzoff. Anchored Plasticity Opens Doors For Selective Inhibitor Design in Nitric Oxide Synthase. Nat.Chem.Biol. V. 4 700 2008.
ISSN: ISSN 1552-4450
PubMed: 18849972
DOI: 10.1038/NCHEMBIO.115
Page generated: Sun Dec 13 11:45:18 2020

Last articles

Ca in 3QR1
Ca in 3QNO
Ca in 3QR0
Ca in 3QOU
Ca in 3QMP
Ca in 3QOL
Ca in 3QOJ
Ca in 3QGV
Ca in 3QH1
Ca in 3QLQ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy