Arsenic in PDB 3ilz: Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in P212121 Space Group

The structure of Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in P212121 Space Group, PDB code: 3ilz was solved by R.Aparicio, L.Polikarpov, L.Bleicher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.47 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.914, 80.351, 102.886, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 18.8

The binding sites of Arsenic atom in the Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in P212121 Space Group (pdb code 3ilz). 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 P212121 Space Group, PDB code: 3ilz:
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 P212121 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 P212121 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:As244 b:32.4 occ:1.00 AS A:CAS244 0.0 32.4 1.0 CE2 A:CAS244 2.0 37.2 1.0 CE1 A:CAS244 2.0 27.9 1.0 SG A:CAS244 2.2 28.5 1.0 CB A:CAS244 3.3 30.2 1.0 CA A:CAS244 3.6 26.4 1.0 NE2 A:GLN247 3.7 20.9 1.0 O A:HOH545 3.9 40.9 1.0 N A:CAS244 4.0 23.8 1.0 CD A:GLN247 4.1 23.8 1.0 O A:HOH87 4.2 34.6 1.0 OE1 A:GLN247 4.3 23.8 1.0 O A:LEU242 4.7 21.7 1.0 C A:PRO243 4.9 24.0 1.0 C A:CAS244 5.0 26.4 1.0

Arsenic binding site 2 out of 4 in the Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in P212121 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 P212121 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:As334 b:39.8 occ:1.00 AS A:CAS334 0.0 39.8 1.0 CE1 A:CAS334 1.9 20.3 1.0 CE2 A:CAS334 2.0 30.9 1.0 SG A:CAS334 2.3 25.4 1.0 CB A:CAS334 3.2 23.5 1.0 CA A:CAS334 3.6 26.0 1.0 O A:HOH4 3.8 27.8 1.0 N A:CAS334 4.2 25.0 1.0 C A:LEU333 4.6 31.6 1.0 O A:LEU333 4.7 36.3 1.0 C A:CAS334 4.9 25.9 1.0

Arsenic binding site 3 out of 4 in the Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in P212121 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 P212121 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:As380 b:45.6 occ:1.00 AS A:CAS380 0.0 45.6 1.0 CE2 A:CAS380 2.0 36.0 1.0 CE1 A:CAS380 2.0 48.4 1.0 SG A:CAS380 2.2 36.6 1.0 CB A:CAS380 3.1 30.7 1.0 O A:HOH447 3.8 53.9 1.0 CB A:ALA298 4.2 25.8 1.0 O A:MET376 4.4 26.8 1.0 O A:HOH564 4.4 41.7 1.0 CA A:CAS380 4.6 28.4 1.0 CG2 A:VAL294 4.7 33.1 1.0 O A:VAL294 4.7 27.1 1.0 CA A:VAL295 4.8 25.0 1.0 CA A:ILE377 4.8 25.4 1.0 CG2 A:VAL295 4.9 26.0 1.0 C A:MET376 5.0 27.4 1.0 O A:HOH111 5.0 36.2 1.0

Arsenic binding site 4 out of 4 in the Structure of Tr-Alfa Bound to Selective Thyromimetic Gc-1 in P212121 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 P212121 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:As392 b:41.6 occ:1.00 AS A:CAS392 0.0 41.6 1.0 CE1 A:CAS392 1.9 25.6 1.0 CE2 A:CAS392 2.0 31.8 1.0 SG A:CAS392 2.2 29.9 1.0 CB A:CAS392 3.3 28.4 1.0 CD2 A:LEU212 3.9 31.4 1.0 CG1 A:VAL210 4.2 27.5 1.0 CG1 A:VAL202 4.2 28.1 1.0 CB A:VAL210 4.4 26.3 1.0 CG2 A:VAL210 4.6 26.8 1.0 CA A:CAS392 4.7 29.7 1.0 CD1 A:PHE215 4.7 25.9 1.0 CE1 A:PHE215 4.7 26.4 1.0 CB A:VAL202 4.8 27.0 1.0 O A:MET388 4.8 29.8 1.0 CG A:PHE215 4.9 27.5 1.0 CZ A:PHE215 4.9 26.4 1.0 CD1 A:LEU396 4.9 28.1 1.0 CD2 A:PHE215 5.0 27.6 1.0 N A:CAS392 5.0 28.4 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