Atomistry » Iodine » PDB 2qqt-2y5e » 2xn6
Atomistry »
  Iodine »
    PDB 2qqt-2y5e »
      2xn6 »

Iodine in PDB 2xn6: Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein

Protein crystallography data

The structure of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein, PDB code: 2xn6 was solved by X.Qi, Y.Yan, Z.Wei, A.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 86.34 / 1.29
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 172.690, 42.140, 56.100, 90.00, 90.00, 90.00
R / Rfree (%) 20.725 / 23.453

Other elements in 2xn6:

The structure of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein also contains other interesting chemical elements:

Calcium (Ca) 7 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein (pdb code 2xn6). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein, PDB code: 2xn6:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in 2xn6

Go back to Iodine Binding Sites List in 2xn6
Iodine binding site 1 out of 4 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


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 Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1370

b:15.7
occ:0.60
I3 A:T441370 0.0 15.7 0.6
C3 A:T441370 2.1 18.4 0.6
C2 A:T441370 3.0 19.5 0.6
C4 A:T441370 3.1 17.5 0.6
O4 A:T441370 3.2 17.9 0.6
C1' A:T441370 3.6 18.2 0.6
CA B:ARG381 3.8 17.3 1.0
O B:GLU377 3.8 14.7 1.0
CG B:ARG381 4.0 21.6 1.0
CB B:ARG381 4.1 18.5 1.0
C6' A:T441370 4.1 18.0 0.6
C2' A:T441370 4.2 18.3 0.6
CA B:ARG378 4.2 17.9 1.0
CB B:LEU376 4.2 11.4 1.0
C1 A:T441370 4.3 21.4 0.6
C5 A:T441370 4.4 18.0 0.6
CD1 B:LEU376 4.4 18.2 1.0
O B:ARG378 4.4 19.7 1.0
C B:GLU377 4.4 14.6 1.0
C B:ARG381 4.5 15.7 1.0
N B:ARG378 4.7 16.2 1.0
N B:ARG381 4.7 17.3 1.0
C B:ARG378 4.8 19.0 1.0
CG B:LEU376 4.8 14.1 1.0
CG B:ARG378 4.8 20.9 1.0
C6 A:T441370 4.9 19.3 0.6
CD2 A:LEU246 4.9 17.8 1.0
O B:ARG381 5.0 16.9 1.0

Iodine binding site 2 out of 4 in 2xn6

Go back to Iodine Binding Sites List in 2xn6
Iodine binding site 2 out of 4 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


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 Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1370

b:19.8
occ:0.60
I3' A:T441370 0.0 19.8 0.6
C3' A:T441370 2.1 18.9 0.6
C2' A:T441370 3.0 18.3 0.6
C4' A:T441370 3.0 18.2 0.6
O4' A:T441370 3.2 18.7 0.6
O A:HOH2219 3.3 21.6 1.0
ND2 A:ASN273 3.6 16.8 1.0
CG A:ASN273 3.9 14.8 1.0
CB A:ASN273 3.9 12.6 1.0
O A:HOH2287 4.0 28.4 1.0
CG A:LYS270 4.1 16.2 1.0
CA A:LYS270 4.3 12.3 1.0
C5' A:T441370 4.3 17.9 0.6
C1' A:T441370 4.4 18.2 0.6
CB A:LYS270 4.6 13.2 1.0
NE B:ARG381 4.6 28.4 1.0
OD1 A:ASN273 4.6 18.6 1.0
C6' A:T441370 4.9 18.0 0.6
O A:LYS270 4.9 12.8 1.0

Iodine binding site 3 out of 4 in 2xn6

Go back to Iodine Binding Sites List in 2xn6
Iodine binding site 3 out of 4 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


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 Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1370

b:16.1
occ:0.60
I5 A:T441370 0.0 16.1 0.6
C5 A:T441370 2.1 18.0 0.6
C6 A:T441370 3.0 19.3 0.6
C4 A:T441370 3.0 17.5 0.6
O4 A:T441370 3.2 17.9 0.6
O A:LEU269 3.2 11.0 1.0
C1' A:T441370 3.8 18.2 0.6
N A:ASN273 3.8 10.8 1.0
CD1 A:LEU248 3.9 8.6 0.5
C2' A:T441370 4.0 18.3 0.6
CB A:ASN273 4.0 12.6 1.0
CA A:ASN273 4.0 11.6 1.0
C A:LEU269 4.1 10.8 1.0
CA A:LEU269 4.3 9.8 1.0
CB A:TRP272 4.3 9.5 1.0
CB A:LEU269 4.3 9.9 1.0
CD2 A:LEU248 4.3 11.0 0.5
C1 A:T441370 4.3 21.4 0.6
C3 A:T441370 4.3 18.4 0.6
C A:TRP272 4.4 10.4 1.0
CD2 A:LEU269 4.5 12.1 1.0
CD1 A:LEU276 4.5 12.1 1.0
OD1 A:ASN273 4.7 18.6 1.0
CD1 B:LEU376 4.8 18.2 1.0
CG A:ASN273 4.9 14.8 1.0
C2 A:T441370 4.9 19.5 0.6
C6' A:T441370 4.9 18.0 0.6
CG A:LEU248 4.9 8.8 0.5
CA A:TRP272 4.9 10.1 1.0
CD2 A:LEU248 4.9 8.6 0.5
CG A:LEU269 5.0 9.9 1.0

Iodine binding site 4 out of 4 in 2xn6

Go back to Iodine Binding Sites List in 2xn6
Iodine binding site 4 out of 4 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


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 Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1370

b:17.1
occ:0.60
I5' A:T441370 0.0 17.1 0.6
C5' A:T441370 2.1 17.9 0.6
C4' A:T441370 3.0 18.2 0.6
C6' A:T441370 3.0 18.0 0.6
O4' A:T441370 3.2 18.7 0.6
O A:SER23 3.7 23.7 1.0
CB A:ALA27 3.9 12.6 1.0
C A:SER23 4.0 23.3 1.0
OG A:SER266 4.1 13.8 0.5
O B:ARG381 4.2 16.9 1.0
N A:SER24 4.3 22.6 1.0
CA A:SER24 4.3 21.5 1.0
OG A:SER23 4.3 25.8 1.0
C3' A:T441370 4.3 18.9 0.6
C1' A:T441370 4.3 18.2 0.6
CB A:SER266 4.4 12.0 0.5
CB A:SER23 4.4 24.9 1.0
CB A:SER266 4.5 11.8 0.5
CD1 A:LEU269 4.6 11.7 1.0
OG A:SER24 4.7 23.6 1.0
CB B:ARG381 4.8 18.5 1.0
CA A:SER266 4.8 11.7 0.5
CA A:SER266 4.8 11.4 0.5
C2' A:T441370 4.9 18.3 0.6
CA A:SER23 4.9 24.9 1.0

Reference:

X.Qi, F.Loiseau, W.L.Chan, Y.Yan, Z.Wei, L.G.Milroy, R.M.Myers, S.V.Ley, R.J.Read, R.W.Carrell, A.Zhou. Allosteric Modulation of Hormone Release From Thyroxine and Corticosteroid Binding-Globulins. J.Biol.Chem. V. 286 16163 2011.
ISSN: ISSN 0021-9258
PubMed: 21325280
DOI: 10.1074/JBC.M110.171082
Page generated: Sun Aug 11 14:29:46 2024

Last articles

Cl in 2VD9
Cl in 2VD8
Cl in 2VCE
Cl in 2VD4
Cl in 2VCJ
Cl in 2VCG
Cl in 2VBS
Cl in 2VB9
Cl in 2VBV
Cl in 2VB8
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy