Atomistry » Fluorine » PDB 2z78-3az8 » 3abv
Atomistry »
  Fluorine »
    PDB 2z78-3az8 »
      3abv »

Fluorine in PDB 3abv: Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-Biphenyl-3-Yl-2-Trifluoromethyl-Benzamide

Enzymatic activity of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-Biphenyl-3-Yl-2-Trifluoromethyl-Benzamide

All present enzymatic activity of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-Biphenyl-3-Yl-2-Trifluoromethyl-Benzamide:
1.3.5.1;

Protein crystallography data

The structure of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-Biphenyl-3-Yl-2-Trifluoromethyl-Benzamide, PDB code: 3abv was solved by S.Harada, T.Sasaki, M.Shindo, Y.Kido, D.K.Inaoka, J.Omori, A.Osanai, K.Sakamoto, J.Mao, S.Matsuoka, M.Inoue, T.Honma, A.Tanaka, K.Kita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.63 / 3.24
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.702, 84.170, 294.432, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 25.3

Other elements in 3abv:

The structure of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-Biphenyl-3-Yl-2-Trifluoromethyl-Benzamide also contains other interesting chemical elements:

Iron (Fe) 10 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-Biphenyl-3-Yl-2-Trifluoromethyl-Benzamide (pdb code 3abv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-Biphenyl-3-Yl-2-Trifluoromethyl-Benzamide, PDB code: 3abv:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 3abv

Go back to Fluorine Binding Sites List in 3abv
Fluorine binding site 1 out of 3 in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-Biphenyl-3-Yl-2-Trifluoromethyl-Benzamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-Biphenyl-3-Yl-2-Trifluoromethyl-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1201

b:60.2
occ:1.00
 F1 B:F6A1201 0.0 60.2 1.0
C1 B:F6A1201 1.3 60.2 1.0
F3 B:F6A1201 2.1 60.0 1.0
F2 B:F6A1201 2.2 60.2 1.0
C2 B:F6A1201 2.3 60.2 1.0
O B:F6A1201 2.7 60.8 1.0
C8 B:F6A1201 2.7 60.8 1.0
C3 B:F6A1201 2.9 60.6 1.0
NE1 B:TRP173 3.1 61.2 1.0
CD1 B:TRP173 3.2 60.6 1.0
CB B:PRO169 3.5 59.7 1.0
N B:F6A1201 3.5 61.1 1.0
C7 B:F6A1201 3.5 60.2 1.0
C B:PRO169 3.7 57.9 1.0
N B:SER170 3.8 56.9 1.0
O B:PRO169 3.9 58.7 1.0
OG B:SER170 4.1 58.0 1.0
CD1 B:ILE218 4.1 49.8 1.0
CA B:SER170 4.2 56.9 1.0
C4 B:F6A1201 4.2 60.5 1.0
CA B:PRO169 4.2 58.1 1.0
CE2 B:TRP173 4.4 61.3 1.0
CG B:TRP173 4.5 60.2 1.0
OH D:TYR91 4.5 63.7 1.0
C9 B:F6A1201 4.6 61.3 1.0
C6 B:F6A1201 4.7 60.6 1.0
CB B:SER170 4.7 56.6 1.0
CG B:PRO169 4.7 59.4 1.0
CE2 D:TYR91 4.8 64.4 1.0
NH1 C:ARG46 4.8 53.9 1.0
C5 B:F6A1201 5.0 60.5 1.0

Fluorine binding site 2 out of 3 in 3abv

Go back to Fluorine Binding Sites List in 3abv
Fluorine binding site 2 out of 3 in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-Biphenyl-3-Yl-2-Trifluoromethyl-Benzamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-Biphenyl-3-Yl-2-Trifluoromethyl-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1201

b:60.2
occ:1.00
 F2 B:F6A1201 0.0 60.2 1.0
C1 B:F6A1201 1.3 60.2 1.0
F1 B:F6A1201 2.2 60.2 1.0
F3 B:F6A1201 2.2 60.0 1.0
C2 B:F6A1201 2.3 60.2 1.0
NH1 C:ARG46 3.0 53.9 1.0
C7 B:F6A1201 3.1 60.2 1.0
O B:F6A1201 3.1 60.8 1.0
C3 B:F6A1201 3.2 60.6 1.0
OD2 D:ASP90 3.2 52.0 1.0
OH D:TYR91 3.4 63.7 1.0
C8 B:F6A1201 3.5 60.8 1.0
CE2 D:TYR91 3.5 64.4 1.0
CD1 B:TRP173 3.7 60.6 1.0
CZ D:TYR91 3.7 63.5 1.0
CG D:ASP90 3.7 53.6 1.0
CB D:ASP90 3.9 55.7 1.0
NE1 B:TRP173 4.0 61.2 1.0
CZ C:ARG46 4.1 53.2 1.0
NH2 C:ARG46 4.2 52.9 1.0
C6 B:F6A1201 4.3 60.6 1.0
C4 B:F6A1201 4.4 60.5 1.0
CD2 D:TYR91 4.5 65.1 1.0
OD1 D:ASP90 4.5 53.7 1.0
OG B:SER170 4.5 58.0 1.0
CD2 B:HIS216 4.6 53.2 1.0
CE1 D:TYR91 4.7 63.0 1.0
N B:F6A1201 4.7 61.1 1.0
NE2 B:HIS216 4.8 54.1 1.0
C5 B:F6A1201 4.9 60.5 1.0
CG B:TRP173 4.9 60.2 1.0

Fluorine binding site 3 out of 3 in 3abv

Go back to Fluorine Binding Sites List in 3abv
Fluorine binding site 3 out of 3 in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-Biphenyl-3-Yl-2-Trifluoromethyl-Benzamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with N-Biphenyl-3-Yl-2-Trifluoromethyl-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1201

b:60.0
occ:1.00
 F3 B:F6A1201 0.0 60.0 1.0
C1 B:F6A1201 1.3 60.2 1.0
F1 B:F6A1201 2.1 60.2 1.0
F2 B:F6A1201 2.2 60.2 1.0
C2 B:F6A1201 2.3 60.2 1.0
C7 B:F6A1201 2.7 60.2 1.0
OG B:SER170 2.9 58.0 1.0
CD2 B:HIS216 3.1 53.2 1.0
OD2 D:ASP90 3.7 52.0 1.0
C3 B:F6A1201 3.7 60.6 1.0
NE2 B:HIS216 3.8 54.1 1.0
CD1 B:ILE218 4.0 49.8 1.0
CB B:SER170 4.0 56.6 1.0
C6 B:F6A1201 4.1 60.6 1.0
CG B:HIS216 4.2 52.8 1.0
CA B:SER170 4.2 56.9 1.0
CG D:ASP90 4.3 53.6 1.0
N B:SER170 4.3 56.9 1.0
C8 B:F6A1201 4.3 60.8 1.0
NH1 C:ARG46 4.3 53.9 1.0
O B:F6A1201 4.4 60.8 1.0
O B:ARG214 4.6 50.9 1.0
OD1 D:ASP90 4.6 53.7 1.0
CD1 B:TRP173 4.7 60.6 1.0
CB B:HIS216 4.7 52.0 1.0
C4 B:F6A1201 4.8 60.5 1.0
NH2 C:ARG46 4.8 52.9 1.0
C B:PRO169 4.8 57.9 1.0
C5 B:F6A1201 4.9 60.5 1.0
CZ C:ARG46 5.0 53.2 1.0
CG1 B:ILE218 5.0 50.5 1.0
CE1 B:HIS216 5.0 54.3 1.0

Reference:

D.K.Inaoka, T.Shiba, D.Sato, E.O.Balogun, T.Sasaki, M.Nagahama, M.Oda, S.Matsuoka, J.Ohmori, T.Honma, M.Inoue, K.Kita, S.Harada. Structural Insights Into the Molecular Design of Flutolanil Derivatives Targeted For Fumarate Respiration of Parasite Mitochondria Int J Mol Sci V. 16 15287 2015.
ISSN: ESSN 1422-0067
PubMed: 26198225
DOI: 10.3390/IJMS160715287
Page generated: Wed Jul 31 17:05:42 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy