Arsenic in PDB 3imy: Structure of Tr-Beta Bound to Selective Thyromimetic Gc-1

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

Resolution Low / High (Å)	35.23 / 2.55
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.996, 68.996, 130.861, 90.00, 90.00, 120.00
R / Rfree (%)	22.5 / 27.1

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

Arsenic binding site 1 out of 3 in the Structure of Tr-Beta Bound to Selective Thyromimetic Gc-1


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-Beta Bound to Selective Thyromimetic Gc-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:As294 b:74.3 occ:1.00 AS A:CAS294 0.0 74.3 1.0 CE2 A:CAS294 2.0 56.5 1.0 CE1 A:CAS294 2.0 54.3 1.0 SG A:CAS294 2.2 59.5 1.0 CB A:CAS294 3.2 60.8 1.0 CA A:CAS294 3.8 63.5 1.0 O A:LYS288 4.5 54.4 1.0 OE1 A:GLN301 4.6 59.9 1.0 N A:CAS294 4.6 59.2 1.0 C A:CAS294 4.9 62.0 1.0

Arsenic binding site 2 out of 3 in the Structure of Tr-Beta Bound to Selective Thyromimetic Gc-1


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-Beta Bound to Selective Thyromimetic Gc-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:As388 b:91.0 occ:1.00 AS A:CAS388 0.0 91.0 1.0 CE2 A:CAS388 2.0 74.7 1.0 CE1 A:CAS388 2.0 77.1 1.0 SG A:CAS388 2.2 66.4 1.0 CB A:CAS388 3.0 62.0 1.0 CD A:ARG391 3.9 73.5 1.0 NH1 A:ARG391 4.1 78.2 1.0 O A:HOH14 4.3 62.0 1.0 CB A:ARG391 4.3 61.9 1.0 CA A:CAS388 4.4 59.6 1.0 CG A:ARG391 4.7 61.2 1.0 NE A:ARG391 4.9 76.7 1.0 CZ A:ARG391 5.0 80.5 1.0

Arsenic binding site 3 out of 3 in the Structure of Tr-Beta Bound to Selective Thyromimetic Gc-1


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-Beta Bound to Selective Thyromimetic Gc-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:As434 b:0.8 occ:1.00 AS A:CAS434 0.0 0.8 1.0 CE2 A:CAS434 2.0 44.4 1.0 CE1 A:CAS434 2.0 20.3 1.0 SG A:CAS434 2.2 62.1 1.0 CB A:CAS434 2.8 53.6 1.0 CA A:CAS434 3.7 41.4 1.0 CG1 A:VAL348 3.7 38.2 1.0 O A:CAS434 4.1 44.0 1.0 C A:CAS434 4.2 43.1 1.0 CG2 A:VAL349 4.3 44.5 1.0 N A:CAS434 4.8 42.4 1.0

L.Bleicher, R.Aparicio, F.M.Nunes, L.Martinez, S.M.Gomes Dias, A.C.M.Figueira, M.A.M.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 1 2008.
ISSN: ESSN 1472-6807
PubMed: 18237438
DOI: 10.1186/1472-6807-8-8