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Iodine in PDB 3ae7: Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with 2-Iodo-N-(3-Isopropoxy-Phenyl)-Benzamide

Enzymatic activity of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with 2-Iodo-N-(3-Isopropoxy-Phenyl)-Benzamide

All present enzymatic activity of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with 2-Iodo-N-(3-Isopropoxy-Phenyl)-Benzamide:
1.3.5.1;

Protein crystallography data

The structure of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with 2-Iodo-N-(3-Isopropoxy-Phenyl)-Benzamide, PDB code: 3ae7 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) 48.13 / 3.62
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.175, 83.988, 293.691, 90.00, 90.00, 90.00
R / Rfree (%) 25.6 / 30.5

Other elements in 3ae7:

The structure of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with 2-Iodo-N-(3-Isopropoxy-Phenyl)-Benzamide also contains other interesting chemical elements:

Iron (Fe) 10 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with 2-Iodo-N-(3-Isopropoxy-Phenyl)-Benzamide (pdb code 3ae7). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with 2-Iodo-N-(3-Isopropoxy-Phenyl)-Benzamide, PDB code: 3ae7:

Iodine binding site 1 out of 1 in 3ae7

Go back to Iodine Binding Sites List in 3ae7
Iodine binding site 1 out of 1 in the Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with 2-Iodo-N-(3-Isopropoxy-Phenyl)-Benzamide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Porcine Heart Mitochondrial Complex II Bound with 2-Iodo-N-(3-Isopropoxy-Phenyl)-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I1201

b:1.0
occ:1.00
 I B:12J1201 0.0 1.0 1.0
C1 B:12J1201 2.1 0.4 1.0
O1 B:12J1201 2.8 0.8 1.0
C6 B:12J1201 3.0 0.5 1.0
C2 B:12J1201 3.1 0.7 1.0
C7 B:12J1201 3.4 0.8 1.0
OD2 D:ASP90 3.5 0.8 1.0
CD1 B:TRP173 3.9 0.8 1.0
CD2 B:HIS216 4.1 0.6 1.0
CD1 B:ILE218 4.2 0.7 1.0
OH D:TYR91 4.2 0.4 1.0
N B:SER170 4.2 0.4 1.0
CA B:SER170 4.2 0.8 1.0
C5 B:12J1201 4.4 0.5 1.0
CB B:SER170 4.4 0.9 1.0
C3 B:12J1201 4.4 0.6 1.0
CG D:ASP90 4.4 0.4 1.0
C B:PRO169 4.5 0.7 1.0
NE1 B:TRP173 4.5 0.9 1.0
CB B:PRO169 4.5 0.9 1.0
NE2 B:HIS216 4.5 0.3 1.0
CE2 D:TYR91 4.7 0.9 1.0
O B:PRO169 4.7 0.5 1.0
CZ D:TYR91 4.7 0.1 1.0
N B:12J1201 4.7 0.9 1.0
CB D:ASP90 4.8 0.8 1.0
C4 B:12J1201 4.9 0.6 1.0
OG B:SER170 4.9 0.8 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: Sun Aug 11 14:42:58 2024

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