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Iodine in PDB 4ttc: Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit)

Enzymatic activity of Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit)

All present enzymatic activity of Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit):
1.22.1.1;

Protein crystallography data

The structure of Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit), PDB code: 4ttc was solved by W.Chuenchor, J.Hu, S.Rokita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.86 / 2.65
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 104.747, 104.747, 303.338, 90.00, 90.00, 120.00
R / Rfree (%) 17 / 21.2

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit) (pdb code 4ttc). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit), PDB code: 4ttc:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in 4ttc

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Iodine binding site 1 out of 6 in the Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit)


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 Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I302

b:42.2
occ:1.00
 IE A:IYR302 0.0 42.2 1.0
CE A:IYR302 2.2 39.3 1.0
CF A:IYR302 3.2 33.4 1.0
CD A:IYR302 3.2 42.8 1.0
OF A:IYR302 3.3 27.4 1.0
N B:ALA130 3.6 38.5 1.0
CB B:TYR211 3.7 36.5 1.0
CA B:GLY129 3.8 35.0 1.0
C B:GLY129 3.9 36.9 1.0
CD1 B:TYR212 3.9 39.1 1.0
CE1 B:TYR212 4.0 42.7 1.0
NE1 A:TRP169 4.1 47.9 1.0
CZ2 A:TRP169 4.2 49.4 1.0
N5 A:FMN301 4.3 28.9 1.0
CG B:TYR211 4.4 43.2 1.0
CB B:ALA130 4.4 29.8 1.0
C5A A:FMN301 4.5 33.1 1.0
CE2 A:TRP169 4.5 54.9 1.0
CA B:ALA130 4.5 36.8 1.0
CC A:IYR302 4.6 40.1 1.0
CG A:IYR302 4.6 32.3 1.0
CD2 A:LEU173 4.7 45.9 1.0
C4A A:FMN301 4.7 28.4 1.0
C6 A:FMN301 4.7 36.6 1.0
CD2 B:TYR211 4.8 40.6 1.0
O B:GLY129 4.8 31.5 1.0
OG1 A:THR239 4.9 54.0 1.0

Iodine binding site 2 out of 6 in 4ttc

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Iodine binding site 2 out of 6 in the Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I302

b:40.7
occ:1.00
 IE B:IYR302 0.0 40.7 1.0
CE B:IYR302 2.2 33.2 1.0
CF B:IYR302 3.1 25.4 1.0
CD B:IYR302 3.2 35.6 1.0
OF B:IYR302 3.2 17.5 1.0
N A:ALA130 3.6 30.3 1.0
CB A:TYR211 3.7 33.6 1.0
CA A:GLY129 3.7 28.8 1.0
CE1 A:TYR212 3.9 27.7 1.0
CD1 A:TYR212 3.9 34.4 1.0
C A:GLY129 3.9 28.7 1.0
NE1 B:TRP169 4.1 43.5 1.0
CZ2 B:TRP169 4.3 44.5 1.0
CG A:TYR211 4.3 36.0 1.0
N5 B:FMN301 4.4 35.2 1.0
CB A:ALA130 4.5 18.1 1.0
CE2 B:TRP169 4.5 43.6 1.0
CA A:ALA130 4.5 28.1 1.0
C5A B:FMN301 4.5 37.5 1.0
CC B:IYR302 4.6 38.2 1.0
CG B:IYR302 4.6 22.1 1.0
C6 B:FMN301 4.7 44.0 1.0
C4A B:FMN301 4.8 34.1 1.0
CD2 A:TYR211 4.8 26.2 1.0
CD2 B:LEU173 4.8 22.6 1.0
O A:GLY129 4.9 25.9 1.0
OG1 B:THR239 4.9 36.3 1.0

Iodine binding site 3 out of 6 in 4ttc

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Iodine binding site 3 out of 6 in the Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I302

b:43.4
occ:1.00
 IE C:IYR302 0.0 43.4 1.0
CE C:IYR302 2.2 45.6 1.0
CF C:IYR302 3.2 40.7 1.0
CD C:IYR302 3.2 47.3 1.0
OF C:IYR302 3.3 35.2 1.0
CB D:TYR211 3.7 34.9 1.0
CA D:GLY129 3.7 29.3 1.0
N D:ALA130 3.8 31.4 1.0
CD1 D:TYR212 3.8 45.4 1.0
CE1 D:TYR212 3.9 41.6 1.0
C D:GLY129 4.0 36.7 1.0
CZ2 C:TRP169 4.0 46.9 1.0
NE1 C:TRP169 4.0 36.2 1.0
N5 C:FMN301 4.3 36.4 1.0
CG D:TYR211 4.3 46.3 1.0
CE2 C:TRP169 4.4 41.6 1.0
C5A C:FMN301 4.4 39.1 1.0
CC C:IYR302 4.6 47.1 1.0
CG C:IYR302 4.6 36.5 1.0
C6 C:FMN301 4.6 37.0 1.0
CB D:ALA130 4.7 27.3 1.0
C4A C:FMN301 4.7 40.5 1.0
CA D:ALA130 4.7 27.0 1.0
CD2 D:TYR211 4.9 45.8 1.0
O D:GLY129 4.9 31.8 1.0
CD2 C:LEU173 4.9 46.4 1.0
OG1 C:THR239 5.0 69.6 1.0
CA D:TYR211 5.0 36.0 1.0
C9A C:FMN301 5.0 39.4 1.0
CD1 D:TYR211 5.0 43.7 1.0

Iodine binding site 4 out of 6 in 4ttc

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Iodine binding site 4 out of 6 in the Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I302

b:48.0
occ:1.00
 IE D:IYR302 0.0 48.0 1.0
CE D:IYR302 2.2 36.1 1.0
CF D:IYR302 3.2 35.2 1.0
CD D:IYR302 3.2 38.1 1.0
OF D:IYR302 3.3 32.5 1.0
N C:ALA130 3.6 42.1 1.0
CA C:GLY129 3.7 43.2 1.0
CB C:TYR211 3.7 50.5 1.0
C C:GLY129 3.9 39.4 1.0
CD1 C:TYR212 3.9 30.6 1.0
CE1 C:TYR212 4.0 35.6 1.0
NE1 D:TRP169 4.0 48.0 1.0
CZ2 D:TRP169 4.2 48.8 1.0
CB C:ALA130 4.3 38.0 1.0
CG C:TYR211 4.4 47.2 1.0
N5 D:FMN301 4.4 38.5 1.0
CE2 D:TRP169 4.4 47.6 1.0
CA C:ALA130 4.5 42.2 1.0
C5A D:FMN301 4.5 34.7 1.0
CC D:IYR302 4.6 44.5 1.0
CG D:IYR302 4.6 31.1 1.0
C6 D:FMN301 4.7 44.8 1.0
O C:GLY129 4.8 32.8 1.0
C4A D:FMN301 4.8 41.1 1.0
CD2 D:LEU173 4.8 38.7 1.0
CD2 C:TYR211 4.9 53.6 1.0
O C:HOH412 4.9 46.4 1.0
OG1 D:THR239 5.0 45.9 1.0

Iodine binding site 5 out of 6 in 4ttc

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Iodine binding site 5 out of 6 in the Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:I302

b:43.5
occ:1.00
 IE E:IYR302 0.0 43.5 1.0
CE E:IYR302 2.2 37.6 1.0
CF E:IYR302 3.2 32.7 1.0
CD E:IYR302 3.2 40.8 1.0
OF E:IYR302 3.3 30.3 1.0
N F:ALA130 3.7 38.2 1.0
CA F:GLY129 3.7 30.4 1.0
CB F:TYR211 3.7 36.4 1.0
CD1 F:TYR212 3.8 27.0 1.0
CE1 F:TYR212 3.9 30.7 1.0
C F:GLY129 3.9 34.6 1.0
NE1 E:TRP169 4.0 39.7 1.0
CZ2 E:TRP169 4.2 42.9 1.0
N5 E:FMN301 4.3 33.5 1.0
CG F:TYR211 4.4 43.0 1.0
C5A E:FMN301 4.4 36.5 1.0
CE2 E:TRP169 4.5 40.0 1.0
CB F:ALA130 4.5 38.7 1.0
CA F:ALA130 4.6 40.0 1.0
CC E:IYR302 4.6 41.3 1.0
CG E:IYR302 4.6 22.2 1.0
C6 E:FMN301 4.6 34.0 1.0
CD2 E:LEU173 4.7 46.1 1.0
C4A E:FMN301 4.7 34.5 1.0
O F:GLY129 4.8 30.6 1.0
OG1 E:THR239 4.9 44.5 1.0
O F:TYR211 4.9 32.1 1.0
CD2 F:TYR211 5.0 35.4 1.0
C9A E:FMN301 5.0 33.1 1.0

Iodine binding site 6 out of 6 in 4ttc

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Iodine binding site 6 out of 6 in the Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Homo Sapiens Iodotyrosine Deiodinase Bound to Fmn and Mono-Iodotyrosine (Mit) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:I302

b:44.8
occ:1.00
 IE F:IYR302 0.0 44.8 1.0
CE F:IYR302 2.2 37.2 1.0
CF F:IYR302 3.2 40.0 1.0
CD F:IYR302 3.2 43.0 1.0
OF F:IYR302 3.3 33.5 1.0
N E:ALA130 3.6 36.0 1.0
CA E:GLY129 3.7 38.0 1.0
CB E:TYR211 3.8 27.6 1.0
CD1 E:TYR212 3.8 31.3 1.0
CE1 E:TYR212 3.8 25.4 1.0
C E:GLY129 4.0 36.0 1.0
NE1 F:TRP169 4.1 46.5 1.0
CZ2 F:TRP169 4.1 52.3 1.0
N5 F:FMN301 4.3 31.9 1.0
CG E:TYR211 4.4 40.0 1.0
C5A F:FMN301 4.4 44.1 1.0
CE2 F:TRP169 4.5 55.0 1.0
CB E:ALA130 4.5 37.7 1.0
CA E:ALA130 4.6 37.9 1.0
CC F:IYR302 4.6 44.6 1.0
CG F:IYR302 4.6 40.0 1.0
C6 F:FMN301 4.6 47.2 1.0
C4A F:FMN301 4.7 36.8 1.0
CD2 F:LEU173 4.8 42.1 1.0
OG1 F:THR239 4.9 57.7 1.0
O E:GLY129 4.9 27.8 1.0
CD2 E:TYR211 4.9 40.5 1.0
CD1 E:TYR211 5.0 32.7 1.0
C9A F:FMN301 5.0 40.0 1.0

Reference:

J.Hu, W.Chuenchor, S.E.Rokita. A Switch Between One- and Two-Electron Chemistry of the Human Flavoprotein Iodotyrosine Deiodinase Is Controlled By Substrate. J.Biol.Chem. 2014.
ISSN: ESSN 1083-351X
PubMed: 25395621
DOI: 10.1074/JBC.M114.605964
Page generated: Sun Aug 11 19:52:48 2024

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