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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: Fri Jul 26 04:15:17 2024

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