Arsenic in PDB 3hzf: Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in C2 Space Group

The structure of Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in C2 Space Group, PDB code: 3hzf was solved by R.Aparicio, L.Bleicher, I.Polikarpov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.72 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.799, 78.777, 43.071, 90.00, 95.17, 90.00
R / Rfree (%)	18.8 / 26.3

The binding sites of Arsenic atom in the Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in C2 Space Group (pdb code 3hzf). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in C2 Space Group, PDB code: 3hzf:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in the Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in C2 Space Group


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in C2 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:As244 b:55.6 occ:1.00 AS A:CAS244 0.0 55.6 1.0 CE1 A:CAS244 2.0 53.2 1.0 CE2 A:CAS244 2.0 54.7 1.0 SG A:CAS244 2.2 46.6 1.0 CB A:CAS244 3.2 35.1 1.0 C A:CAS244 3.7 32.4 1.0 CD1 A:ILE248 3.8 33.4 1.0 N A:GLU245 3.9 31.9 1.0 O A:CAS244 4.0 30.6 1.0 CA A:CAS244 4.0 33.9 1.0 CA A:GLU245 4.4 30.9 1.0 CG1 A:ILE248 4.5 30.7 1.0 OE2 A:GLU245 4.5 35.0 1.0 CD A:GLU245 4.7 33.2 1.0 CG A:GLU245 4.8 31.4 1.0

Arsenic binding site 2 out of 4 in the Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in C2 Space Group


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in C2 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:As334 b:59.7 occ:1.00 AS A:CAS334 0.0 59.7 1.0 CE1 A:CAS334 2.0 57.0 1.0 CE2 A:CAS334 2.0 56.5 1.0 SG A:CAS334 2.2 45.5 1.0 CB A:CAS334 3.2 41.0 1.0 CA A:CAS334 3.9 40.2 1.0 N A:CAS334 4.6 38.9 1.0 CB A:LYS337 4.6 33.6 1.0 CD A:PRO243 4.8 31.5 1.0

Arsenic binding site 3 out of 4 in the Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in C2 Space Group


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in C2 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:As380 b:62.3 occ:1.00 AS A:CAS380 0.0 62.3 1.0 CE2 A:CAS380 2.0 58.4 1.0 CE1 A:CAS380 2.0 58.8 1.0 SG A:CAS380 2.3 47.7 1.0 CB A:CAS380 3.3 40.8 1.0 CB A:ALA298 4.0 27.9 1.0 O A:MET376 4.3 36.4 1.0 O A:VAL294 4.6 27.0 1.0 CA A:ILE377 4.6 32.8 1.0 C A:MET376 4.7 36.1 1.0 CG2 A:VAL295 4.7 24.9 1.0 CA A:CAS380 4.7 39.3 1.0 N A:ILE377 4.7 34.4 1.0 CA A:VAL295 4.7 25.3 1.0

Arsenic binding site 4 out of 4 in the Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in C2 Space Group


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in C2 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:As392 b:64.5 occ:1.00 AS A:CAS392 0.0 64.5 1.0 CE2 A:CAS392 2.0 57.3 1.0 CE1 A:CAS392 2.0 59.9 1.0 SG A:CAS392 2.2 53.8 1.0 CB A:CAS392 2.9 44.6 1.0 CA A:CAS392 4.1 43.4 1.0 CG1 A:VAL210 4.3 31.3 1.0 O A:MET388 4.3 40.3 1.0 N A:CAS392 4.4 41.5 1.0 CD1 A:LEU212 4.5 33.3 1.0 CE2 A:PHE215 4.7 25.4 1.0 CZ A:PHE215 4.7 26.3 1.0 C A:GLU391 4.7 39.9 1.0 CB A:VAL210 4.7 31.9 1.0 CD2 A:PHE215 4.7 23.9 1.0 CE1 A:PHE215 4.8 27.2 1.0 CG A:PHE215 4.8 26.1 1.0 CD1 A:PHE215 4.8 26.3 1.0 CG2 A:VAL210 4.8 32.1 1.0 O A:GLU391 4.9 40.1 1.0 CB A:GLU391 4.9 37.5 1.0 CG1 A:VAL202 4.9 31.1 1.0

L.Bleicher, R.Aparicio, F.M.Nunes, L.Martinez, S.M.Gomes Dias, A.C.Figueira, M.A.Santos, W.H.Venturelli, R.Da Silva, P.M.Donate, F.A.Neves, L.A.Simeoni, J.D.Baxter, P.Webb, M.S.Skaf, I.Polikarpov. Structural Basis of Gc-1 Selectivity For Thyroid Hormone Receptor Isoforms. Bmc Struct.Biol. V. 8 8 2008.
ISSN: ESSN 1472-6807
PubMed: 18237438
DOI: 10.1186/1472-6807-8-8