Atomistry » Chlorine » PDB 4ylb-4ywj » 4ysy
Atomistry »
  Chlorine »
    PDB 4ylb-4ywj »
      4ysy »

Chlorine in PDB 4ysy: Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide

Enzymatic activity of Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide

All present enzymatic activity of Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide:
1.3.5.1;

Protein crystallography data

The structure of Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide, PDB code: 4ysy was solved by S.Harada, T.Shiba, D.Sato, A.Yamamoto, M.Nagahama, A.Yone, D.K.Inaoka, K.Sakamoto, M.Inoue, T.Honma, K.Kita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 3.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 124.120, 127.660, 220.736, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 23.8

Other elements in 4ysy:

The structure of Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Iron (Fe) 20 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide (pdb code 4ysy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide, PDB code: 4ysy:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4ysy

Go back to Chlorine Binding Sites List in 4ysy
Chlorine binding site 1 out of 4 in the Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:85.6
occ:1.00
CLF B:E24304 0.0 85.6 1.0
CAR B:E24304 1.7 84.1 1.0
CAM B:E24304 2.6 87.5 1.0
CAS B:E24304 2.7 82.1 1.0
CAN B:E24304 3.0 79.0 1.0
NAO B:E24304 3.4 77.8 1.0
O C:TRP69 3.5 60.8 1.0
CA C:GLY73 3.6 60.3 1.0
CE3 C:TRP69 3.7 61.1 1.0
CAQ B:E24304 3.9 90.2 1.0
CZ3 C:TRP69 3.9 61.3 1.0
CAL B:E24304 4.0 84.2 1.0
CE C:MET70 4.0 66.1 1.0
N C:GLY73 4.1 60.9 1.0
CAK B:E24304 4.5 85.4 1.0
C C:TRP69 4.5 60.0 1.0
CAP B:E24304 4.5 76.7 1.0
CD2 C:TRP69 4.8 59.9 1.0
C C:GLY73 4.8 60.0 1.0
CAI B:E24304 4.9 74.3 1.0

Chlorine binding site 2 out of 4 in 4ysy

Go back to Chlorine Binding Sites List in 4ysy
Chlorine binding site 2 out of 4 in the Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:98.8
occ:1.00
CLE B:E24304 0.0 98.8 1.0
CAQ B:E24304 1.7 90.2 1.0
CAM B:E24304 2.7 87.5 1.0
CAK B:E24304 2.7 85.4 1.0
CAR B:E24304 4.0 84.1 1.0
CAL B:E24304 4.0 84.2 1.0
CAS B:E24304 4.5 82.1 1.0

Chlorine binding site 3 out of 4 in 4ysy

Go back to Chlorine Binding Sites List in 4ysy
Chlorine binding site 3 out of 4 in the Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl304

b:83.0
occ:1.00
CLF F:E24304 0.0 83.0 1.0
CAR F:E24304 1.7 83.6 1.0
CAM F:E24304 2.7 85.9 1.0
CAS F:E24304 2.7 84.2 1.0
CAN F:E24304 3.0 79.5 1.0
NAO F:E24304 3.1 76.8 1.0
O G:TRP69 3.5 75.8 1.0
CA G:GLY73 3.5 58.1 1.0
CE3 G:TRP69 3.7 73.4 1.0
CAQ F:E24304 4.0 90.1 1.0
CAL F:E24304 4.0 87.3 1.0
N G:GLY73 4.0 58.8 1.0
CAP F:E24304 4.1 73.2 1.0
CZ3 G:TRP69 4.2 75.8 1.0
CAI F:E24304 4.3 65.1 1.0
CAK F:E24304 4.5 87.3 1.0
C G:TRP69 4.5 71.6 1.0
CE G:MET70 4.6 86.0 1.0
CAT F:E24304 4.8 68.9 1.0
CD2 G:TRP69 4.8 73.1 1.0
C G:GLY73 4.9 58.5 1.0
OAA F:E24304 4.9 75.0 1.0
OG G:SER72 4.9 62.1 1.0

Chlorine binding site 4 out of 4 in 4ysy

Go back to Chlorine Binding Sites List in 4ysy
Chlorine binding site 4 out of 4 in the Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Mitochondrial Rhodoquinol-Fumarate Reductase From Ascaris Suum with N-[(2,4-Dichlorophenyl)Methyl]-2-(Trifluoromethyl) Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl304

b:96.0
occ:1.00
CLE F:E24304 0.0 96.0 1.0
CAQ F:E24304 1.7 90.1 1.0
CAK F:E24304 2.7 87.3 1.0
CAM F:E24304 2.7 85.9 1.0
CAL F:E24304 4.0 87.3 1.0
CAR F:E24304 4.0 83.6 1.0
CAS F:E24304 4.5 84.2 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: Sat Dec 12 11:26:20 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy