Zinc in PDB 3g04: Crystal Structure of the Tsh Receptor in Complex with A Thyroid- Stimulating Autoantibody

The structure of Crystal Structure of the Tsh Receptor in Complex with A Thyroid- Stimulating Autoantibody, PDB code: 3g04 was solved by J.Sanders, D.Y.Chirgadze, P.Sanders, S.Baker, A.Sullivan, A.Bhardwaja, J.Bolton, M.Reeve, N.Nakatake, M.Evans, T.Richards, M.Powell, R.N.Miguel, T.L.Blundell, J.Furmaniak, B.R.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.72 / 2.55
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.888, 175.784, 205.806, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 24.5

The binding sites of Zinc atom in the Crystal Structure of the Tsh Receptor in Complex with A Thyroid- Stimulating Autoantibody (pdb code 3g04). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the Crystal Structure of the Tsh Receptor in Complex with A Thyroid- Stimulating Autoantibody, PDB code: 3g04:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in the Crystal Structure of the Tsh Receptor in Complex with A Thyroid- Stimulating Autoantibody


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Tsh Receptor in Complex with A Thyroid- Stimulating Autoantibody within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn304 b:38.6 occ:0.50 NE2 A:HIS188 1.9 38.7 1.0 CE1 A:HIS188 2.6 39.1 1.0 CD2 A:HIS188 3.1 39.1 1.0 O A:HOH295 3.4 34.3 1.0 ND1 A:HIS188 3.8 39.6 1.0 CG A:HIS188 4.0 40.3 1.0 CG A:GLN184 4.5 41.2 1.0 OH A:TYR191 4.6 41.2 1.0 NE2 A:GLN184 4.6 40.9 1.0 O A:GLN184 4.9 36.5 1.0

Zinc binding site 2 out of 5 in the Crystal Structure of the Tsh Receptor in Complex with A Thyroid- Stimulating Autoantibody


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Tsh Receptor in Complex with A Thyroid- Stimulating Autoantibody within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn305 b:68.6 occ:1.00 OD1 A:ASP95A 2.5 37.0 1.0 O B:HOH252 3.5 44.9 1.0 CG A:ASP95A 3.5 38.0 1.0 OD2 A:ASP95A 3.8 45.6 1.0 O A:ASP93 4.0 34.3 1.0 CE2 B:TYR99 4.1 26.7 1.0 CD2 B:TYR99 4.3 25.1 1.0 NE1 A:TRP91 4.3 24.5 1.0 OD1 A:ASP93 4.4 34.6 1.0 CG2 C:ILE60 4.5 38.4 1.0 CD1 C:ILE60 4.6 43.2 1.0 CA A:ASP93 4.6 32.1 1.0 CE C:LYS58 4.6 40.4 1.0 OG C:SER84 4.7 34.7 1.0 CB A:ASP95A 4.7 32.1 1.0 NZ C:LYS58 4.8 37.2 1.0 C A:ASP93 4.8 33.1 1.0 CA A:ASP95A 4.9 30.4 1.0

Zinc binding site 3 out of 5 in the Crystal Structure of the Tsh Receptor in Complex with A Thyroid- Stimulating Autoantibody


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the Tsh Receptor in Complex with A Thyroid- Stimulating Autoantibody within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:48.4 occ:1.00 NE2 C:HIS63 2.1 28.9 1.0 O B:HOH257 2.2 33.9 1.0 CE1 C:HIS63 2.9 28.1 1.0 CD2 C:HIS63 3.2 27.5 1.0 OD1 C:ASP43 3.9 49.5 1.0 ND1 C:HIS63 4.1 28.6 1.0 O C:GLU61 4.2 34.8 1.0 CG C:HIS63 4.3 30.1 1.0 CG C:ASP43 4.9 48.1 1.0

Zinc binding site 4 out of 5 in the Crystal Structure of the Tsh Receptor in Complex with A Thyroid- Stimulating Autoantibody


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of the Tsh Receptor in Complex with A Thyroid- Stimulating Autoantibody within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn302 b:29.2 occ:1.00 OE2 C:GLU93 2.0 28.6 1.0 O C:HOH274 2.5 16.3 1.0 CD C:GLU93 2.9 24.3 1.0 OE1 C:GLU93 3.2 21.9 1.0 OG1 C:THR66 3.7 32.3 1.0 O C:HOH305 4.1 35.2 1.0 CG C:GLU93 4.3 24.7 1.0 NE2 C:GLN91 4.4 39.4 1.0 CD C:GLN91 4.4 38.5 1.0 OE1 C:GLN91 4.5 41.1 1.0 CB C:GLN91 4.7 31.3 1.0 CG C:GLN91 5.0 36.7 1.0

Zinc binding site 5 out of 5 in the Crystal Structure of the Tsh Receptor in Complex with A Thyroid- Stimulating Autoantibody


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of the Tsh Receptor in Complex with A Thyroid- Stimulating Autoantibody within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn303 b:30.6 occ:0.50 OD2 C:ASP118 1.8 25.3 1.0 CG C:ASP118 2.8 29.9 1.0 OD1 C:ASP118 3.3 29.8 1.0 O A:HOH245 3.7 30.3 0.5 OD2 C:ASP120 3.9 40.0 1.0 CD C:PRO119 4.0 27.6 1.0 CB C:ASP118 4.1 30.8 1.0 N C:PRO119 4.7 28.1 1.0 CA C:ASP118 4.8 29.9 1.0 CG C:PRO119 4.8 29.1 1.0 CB C:SER94 4.9 21.9 1.0 O C:HOH20 5.0 35.1 1.0

J.Sanders, D.Y.Chirgadze, P.Sanders, S.Baker, A.Sullivan, A.Bhardwaja, J.Bolton, M.Reeve, N.Nakatake, M.Evans, T.Richards, M.Powell, R.N.Miguel, T.L.Blundell, J.Furmaniak, B.R.Smith. Crystal Structure of the Tsh Receptor in Complex with A Thyroid-Stimulating Autoantibody Thyroid V. 17 395 2007.
ISSN: ISSN 1050-7256
PubMed: 17542669
DOI: 10.1089/THY.2007.0034