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Iodine in PDB 2ceo: Thyroxine-Binding Globulin Complex with Thyroxine

Protein crystallography data

The structure of Thyroxine-Binding Globulin Complex with Thyroxine, PDB code: 2ceo was solved by A.Zhou, Z.Wei, R.J.Read, R.W.Carrell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.14 / 2.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.404, 88.022, 124.118, 90.00, 90.00, 90.00
R / Rfree (%) 23.5 / 28.3

Iodine Binding Sites:

The binding sites of Iodine atom in the Thyroxine-Binding Globulin Complex with Thyroxine (pdb code 2ceo). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Thyroxine-Binding Globulin Complex with Thyroxine, PDB code: 2ceo:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in 2ceo

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Iodine binding site 1 out of 8 in the Thyroxine-Binding Globulin Complex with Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Thyroxine-Binding Globulin Complex with Thyroxine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1395

b:35.7
occ:1.00
 I3 A:T441395 0.0 35.7 1.0
C3 A:T441395 2.1 30.8 1.0
C2 A:T441395 3.1 30.3 1.0
C4 A:T441395 3.1 30.2 1.0
O4 A:T441395 3.3 30.9 1.0
C1' A:T441395 3.6 30.6 1.0
CG A:ARG381 3.7 9.9 1.0
O A:GLU377 3.8 13.6 1.0
CA A:ARG381 3.8 8.3 1.0
CA A:ARG378 4.1 12.4 1.0
CB A:ARG381 4.1 8.5 1.0
C6' A:T441395 4.2 31.2 1.0
C2' A:T441395 4.2 29.4 1.0
CB A:LEU376 4.2 2.0 1.0
O A:ARG378 4.2 15.8 1.0
C A:GLU377 4.3 11.6 1.0
C1 A:T441395 4.4 30.9 1.0
C5 A:T441395 4.5 31.0 1.0
N A:ARG378 4.5 13.1 1.0
N A:ARG381 4.6 5.8 1.0
C A:ARG378 4.6 13.6 1.0
C A:ARG381 4.7 9.3 1.0
CD2 A:LEU246 4.9 2.1 1.0
CG A:LEU376 4.9 2.0 1.0
CD1 A:LEU376 4.9 2.0 1.0
CD A:ARG381 4.9 11.6 1.0
N A:GLU377 4.9 5.8 1.0
C6 A:T441395 5.0 31.2 1.0

Iodine binding site 2 out of 8 in 2ceo

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Iodine binding site 2 out of 8 in the Thyroxine-Binding Globulin Complex with Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Thyroxine-Binding Globulin Complex with Thyroxine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1395

b:34.0
occ:1.00
 I3' A:T441395 0.0 34.0 1.0
C3' A:T441395 2.1 29.9 1.0
C2' A:T441395 3.1 29.4 1.0
C4' A:T441395 3.1 30.2 1.0
O4' A:T441395 3.3 30.6 1.0
ND2 A:ASN273 3.4 8.1 1.0
CG A:ASN273 3.8 9.5 1.0
CZ A:ARG381 3.9 16.2 1.0
CB A:ASN273 4.0 8.6 1.0
NH2 A:ARG381 4.1 18.4 1.0
NE A:ARG381 4.1 14.2 1.0
NH1 A:ARG381 4.2 14.4 1.0
C1' A:T441395 4.4 30.6 1.0
OD1 A:ASN273 4.4 9.8 1.0
C5' A:T441395 4.4 30.7 1.0
CA A:LYS270 4.5 3.0 1.0
CD A:ARG381 4.5 11.6 1.0
CG A:LYS270 4.5 7.5 1.0
CB A:LYS270 4.9 5.5 1.0
C6' A:T441395 4.9 31.2 1.0

Iodine binding site 3 out of 8 in 2ceo

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Iodine binding site 3 out of 8 in the Thyroxine-Binding Globulin Complex with Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Thyroxine-Binding Globulin Complex with Thyroxine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1395

b:29.7
occ:1.00
 I5 A:T441395 0.0 29.7 1.0
C5 A:T441395 2.1 31.0 1.0
C4 A:T441395 3.0 30.2 1.0
C6 A:T441395 3.1 31.2 1.0
O4 A:T441395 3.1 30.9 1.0
O A:LEU269 3.5 4.2 1.0
C1' A:T441395 3.8 30.6 1.0
N A:ASN273 3.8 8.0 1.0
CD1 A:LEU248 3.9 2.0 1.0
C2' A:T441395 3.9 29.4 1.0
CB A:ASN273 4.0 8.6 1.0
CA A:ASN273 4.1 7.9 1.0
C A:LEU269 4.2 2.7 1.0
CB A:LEU269 4.3 3.8 1.0
CA A:LEU269 4.3 2.9 1.0
CB A:TRP272 4.3 4.1 1.0
C1 A:T441395 4.4 30.9 1.0
C3 A:T441395 4.4 30.8 1.0
C A:TRP272 4.5 8.3 1.0
CD2 A:LEU269 4.5 4.8 1.0
CD1 A:LEU276 4.7 4.4 1.0
OD1 A:ASN273 4.7 9.8 1.0
C6' A:T441395 4.8 31.2 1.0
CG A:ASN273 4.9 9.5 1.0
C2 A:T441395 4.9 30.3 1.0
CG A:LEU269 4.9 4.2 1.0
CA A:TRP272 5.0 5.7 1.0

Iodine binding site 4 out of 8 in 2ceo

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Iodine binding site 4 out of 8 in the Thyroxine-Binding Globulin Complex with Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Thyroxine-Binding Globulin Complex with Thyroxine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1395

b:27.9
occ:1.00
 I5' A:T441395 0.0 27.9 1.0
C5' A:T441395 2.1 30.7 1.0
C4' A:T441395 3.0 30.2 1.0
C6' A:T441395 3.0 31.2 1.0
O4' A:T441395 3.2 30.6 1.0
O A:SER23 3.7 9.9 1.0
CB A:ALA27 3.7 7.1 1.0
O A:ARG381 3.9 11.4 1.0
OG A:SER266 4.0 9.4 1.0
C A:SER23 4.0 10.1 1.0
CD1 A:LEU269 4.1 2.0 1.0
N A:SER24 4.3 8.6 1.0
CA A:SER24 4.3 8.5 1.0
C1' A:T441395 4.4 30.6 1.0
CB A:SER23 4.4 15.2 1.0
CB A:ARG381 4.4 8.5 1.0
C3' A:T441395 4.4 29.9 1.0
CA A:SER23 4.8 12.3 1.0
C2' A:T441395 4.9 29.4 1.0
C A:ARG381 5.0 9.3 1.0

Iodine binding site 5 out of 8 in 2ceo

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Iodine binding site 5 out of 8 in the Thyroxine-Binding Globulin Complex with Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Thyroxine-Binding Globulin Complex with Thyroxine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I1395

b:35.3
occ:1.00
 I3 B:T441395 0.0 35.3 1.0
C3 B:T441395 2.1 30.0 1.0
C2 B:T441395 3.1 29.4 1.0
C4 B:T441395 3.1 29.6 1.0
O4 B:T441395 3.3 29.5 1.0
C1' B:T441395 3.6 29.6 1.0
CG B:ARG381 3.7 10.5 1.0
O B:HOH2015 3.9 15.2 1.0
CA B:ARG381 3.9 7.7 1.0
O B:GLU377 3.9 14.3 1.0
CA B:ARG378 4.1 12.7 1.0
C2' B:T441395 4.1 29.3 1.0
C6' B:T441395 4.1 30.3 1.0
CB B:ARG381 4.1 9.1 1.0
O B:ARG378 4.2 14.7 1.0
CB B:LEU376 4.3 2.0 1.0
C B:GLU377 4.4 11.3 1.0
C1 B:T441395 4.4 30.2 1.0
C5 B:T441395 4.5 30.3 1.0
N B:ARG378 4.6 12.5 1.0
C B:ARG378 4.6 12.9 1.0
N B:ARG381 4.7 5.0 1.0
C B:ARG381 4.8 9.3 1.0
CD2 B:LEU246 4.8 2.3 1.0
CD B:ARG381 4.9 12.9 1.0
C6 B:T441395 4.9 31.3 1.0
CD1 B:LEU376 5.0 3.1 1.0
CG B:LEU376 5.0 2.7 1.0

Iodine binding site 6 out of 8 in 2ceo

Go back to Iodine Binding Sites List in 2ceo
Iodine binding site 6 out of 8 in the Thyroxine-Binding Globulin Complex with Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Thyroxine-Binding Globulin Complex with Thyroxine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I1395

b:32.1
occ:1.00
 I3' B:T441395 0.0 32.1 1.0
C3' B:T441395 2.1 29.4 1.0
C2' B:T441395 3.0 29.3 1.0
C4' B:T441395 3.1 29.2 1.0
ND2 B:ASN273 3.3 6.6 1.0
O4' B:T441395 3.3 29.5 1.0
CG B:ASN273 3.6 9.1 1.0
CZ B:ARG381 3.9 15.9 1.0
CB B:ASN273 3.9 8.7 1.0
NH2 B:ARG381 4.1 17.9 1.0
NE B:ARG381 4.1 14.8 1.0
NH1 B:ARG381 4.2 14.6 1.0
OD1 B:ASN273 4.3 9.8 1.0
C1' B:T441395 4.4 29.6 1.0
C5' B:T441395 4.5 29.5 1.0
CA B:LYS270 4.5 3.6 1.0
CD B:ARG381 4.6 12.9 1.0
CG B:LYS270 4.6 8.7 1.0
C6' B:T441395 4.9 30.3 1.0
CB B:LYS270 4.9 5.7 1.0

Iodine binding site 7 out of 8 in 2ceo

Go back to Iodine Binding Sites List in 2ceo
Iodine binding site 7 out of 8 in the Thyroxine-Binding Globulin Complex with Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Thyroxine-Binding Globulin Complex with Thyroxine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I1395

b:26.5
occ:1.00
 I5 B:T441395 0.0 26.5 1.0
C5 B:T441395 2.1 30.3 1.0
C4 B:T441395 3.0 29.6 1.0
C6 B:T441395 3.1 31.3 1.0
O4 B:T441395 3.2 29.5 1.0
O B:LEU269 3.5 5.2 1.0
N B:ASN273 3.6 7.2 1.0
C1' B:T441395 3.8 29.6 1.0
CA B:ASN273 3.9 6.7 1.0
CB B:ASN273 3.9 8.7 1.0
CD1 B:LEU248 4.0 2.0 1.0
C2' B:T441395 4.0 29.3 1.0
CB B:TRP272 4.2 5.2 1.0
C B:TRP272 4.3 7.9 1.0
C B:LEU269 4.3 3.6 1.0
C1 B:T441395 4.4 30.2 1.0
C3 B:T441395 4.4 30.0 1.0
CD1 B:LEU276 4.5 4.2 1.0
CA B:LEU269 4.5 3.1 1.0
CB B:LEU269 4.5 3.3 1.0
OD1 B:ASN273 4.6 9.8 1.0
CG B:ASN273 4.7 9.1 1.0
CD2 B:LEU269 4.8 2.7 1.0
CA B:TRP272 4.8 6.7 1.0
C6' B:T441395 4.9 30.3 1.0
C2 B:T441395 4.9 29.4 1.0
O B:TRP272 4.9 8.3 1.0

Iodine binding site 8 out of 8 in 2ceo

Go back to Iodine Binding Sites List in 2ceo
Iodine binding site 8 out of 8 in the Thyroxine-Binding Globulin Complex with Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Thyroxine-Binding Globulin Complex with Thyroxine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I1395

b:25.8
occ:1.00
 I5' B:T441395 0.0 25.8 1.0
C5' B:T441395 2.1 29.5 1.0
C6' B:T441395 3.1 30.3 1.0
C4' B:T441395 3.1 29.2 1.0
O4' B:T441395 3.2 29.5 1.0
CB B:ALA27 3.8 8.6 1.0
O B:SER23 3.8 11.8 1.0
CD1 B:LEU269 4.0 2.0 1.0
OG B:SER266 4.0 10.2 1.0
O B:ARG381 4.0 11.3 1.0
C B:SER23 4.1 11.1 1.0
C1' B:T441395 4.4 29.6 1.0
CA B:SER24 4.4 8.1 1.0
N B:SER24 4.4 8.8 1.0
CB B:ARG381 4.4 9.1 1.0
C3' B:T441395 4.5 29.4 1.0
CB B:SER23 4.5 15.4 1.0
C2' B:T441395 4.9 29.3 1.0
CA B:SER23 4.9 12.4 1.0
CB B:LEU269 4.9 3.3 1.0

Reference:

A.Zhou, Z.Wei, R.J.Read, R.W.Carrell. Structural Mechanism For the Carriage and Release of Thyroxine in the Blood. Proc.Natl.Acad.Sci.Usa V. 103 13321 2006.
ISSN: ISSN 0027-8424
PubMed: 16938877
DOI: 10.1073/PNAS.0604080103
Page generated: Sun Jan 24 17:23:21 2021

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