Arsenic in PDB 4lnw: Crystal Structure of Tr-Alpha Bound to T3 in A Second Site

The structure of Crystal Structure of Tr-Alpha Bound to T3 in A Second Site, PDB code: 4lnw was solved by A.C.Puhl, R.Aparicio, I.Polikarpov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.59 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.781, 80.789, 102.562, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.4

The structure of Crystal Structure of Tr-Alpha Bound to T3 in A Second Site also contains other interesting chemical elements:

Iodine

(I)

6 atoms

The binding sites of Arsenic atom in the Crystal Structure of Tr-Alpha Bound to T3 in A Second Site (pdb code 4lnw). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 6 binding sites of Arsenic where determined in the Crystal Structure of Tr-Alpha Bound to T3 in A Second Site, PDB code: 4lnw:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6;

Arsenic binding site 1 out of 6 in the Crystal Structure of Tr-Alpha Bound to T3 in A Second Site


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Tr-Alpha Bound to T3 in A Second Site within 5.0Å range: probe atom residue distance (Å) B Occ A:As244 b:76.5 occ:0.30 AS A:CAS244 0.0 76.5 0.3 CE2 A:CAS244 1.9 28.6 0.3 CE1 A:CAS244 2.0 39.3 0.3 SG A:CAS244 2.2 41.5 0.3 OE1 A:GLU245 3.2 37.4 1.0 CB A:CAS244 3.3 23.5 0.3 CB A:CAS244 3.4 21.5 0.7 CD A:GLU245 3.5 35.7 1.0 CG A:GLU245 4.1 26.9 1.0 OE2 A:GLU245 4.1 31.6 1.0 N A:GLU245 4.2 20.3 1.0 C A:CAS244 4.2 23.8 1.0 CD1 A:ILE248 4.3 37.3 1.0 CA A:CAS244 4.4 23.7 0.3 CA A:CAS244 4.4 24.4 0.7 O A:HOH657 4.5 44.5 1.0 O A:HOH684 4.5 40.5 1.0 SG A:CAS244 4.6 22.3 0.7 CA A:GLU245 4.6 24.3 1.0 O A:HOH660 4.7 40.3 1.0 O A:CAS244 4.7 22.7 1.0 CB A:GLU245 5.0 25.2 1.0

Arsenic binding site 2 out of 6 in the Crystal Structure of Tr-Alpha Bound to T3 in A Second Site


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Tr-Alpha Bound to T3 in A Second Site within 5.0Å range: probe atom residue distance (Å) B Occ A:As244 b:26.6 occ:0.70 AS A:CAS244 0.0 26.6 0.7 CE2 A:CAS244 2.0 22.3 0.7 CE1 A:CAS244 2.0 24.0 0.7 SG A:CAS244 2.2 22.3 0.7 CB A:CAS244 3.3 21.5 0.7 CB A:CAS244 3.5 23.5 0.3 CA A:CAS244 3.6 24.4 0.7 CA A:CAS244 3.6 23.7 0.3 NE2 A:GLN247 3.7 18.8 1.0 N A:CAS244 4.0 22.5 1.0 O A:HOH652 4.1 30.8 1.0 CD A:GLN247 4.2 23.3 1.0 OE1 A:GLN247 4.3 22.1 1.0 SG A:CAS244 4.3 41.5 0.3 O A:LEU242 4.7 20.0 1.0 O A:HOH787 4.8 52.3 1.0 C A:PRO243 4.9 22.6 1.0 C A:CAS244 4.9 23.8 1.0

Arsenic binding site 3 out of 6 in the Crystal Structure of Tr-Alpha Bound to T3 in A Second Site


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Crystal Structure of Tr-Alpha Bound to T3 in A Second Site within 5.0Å range: probe atom residue distance (Å) B Occ A:As334 b:38.9 occ:1.00 AS A:CAS334 0.0 38.9 1.0 CE2 A:CAS334 1.9 16.4 1.0 CE1 A:CAS334 2.0 42.6 1.0 SG A:CAS334 2.3 24.9 1.0 CB A:CAS334 3.1 21.4 1.0 CA A:CAS334 3.5 20.6 1.0 O A:HOH668 3.7 24.2 1.0 N A:CAS334 4.2 20.8 1.0 O A:LEU333 4.5 37.7 1.0 C A:LEU333 4.5 37.1 1.0 C A:CAS334 4.8 23.4 1.0

Arsenic binding site 4 out of 6 in the Crystal Structure of Tr-Alpha Bound to T3 in A Second Site


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Crystal Structure of Tr-Alpha Bound to T3 in A Second Site within 5.0Å range: probe atom residue distance (Å) B Occ A:As380 b:38.8 occ:0.70 AS A:CAS380 0.0 38.8 0.7 CE1 A:CAS380 2.0 42.5 0.7 CE2 A:CAS380 2.0 36.0 0.7 SG A:CAS380 2.3 30.0 0.7 SG A:CAS380 3.0 23.2 0.3 CB A:CAS380 3.1 23.3 0.3 CB A:CAS380 3.1 22.7 0.7 O A:HOH722 4.3 45.1 1.0 O A:MET376 4.3 23.0 1.0 CB A:ALA298 4.4 24.1 1.0 AS A:CAS380 4.4 59.8 0.3 CE1 A:CAS380 4.4 37.6 0.3 CA A:CAS380 4.6 24.3 0.3 CA A:CAS380 4.6 24.9 0.7 CG2 A:VAL294 4.6 31.1 1.0 O A:VAL294 4.6 27.5 1.0 CG2 A:VAL295 4.7 23.3 1.0 O A:HOH843 4.7 54.7 1.0 CA A:VAL295 4.7 23.3 1.0 O A:HOH868 4.9 46.8 1.0 N A:VAL295 4.9 20.8 1.0 C A:MET376 4.9 26.8 1.0 C A:VAL294 4.9 24.6 1.0 CA A:ILE377 5.0 24.3 1.0

Arsenic binding site 5 out of 6 in the Crystal Structure of Tr-Alpha Bound to T3 in A Second Site


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Crystal Structure of Tr-Alpha Bound to T3 in A Second Site within 5.0Å range: probe atom residue distance (Å) B Occ A:As380 b:59.8 occ:0.30 AS A:CAS380 0.0 59.8 0.3 CE2 A:CAS380 2.0 32.7 0.3 CE1 A:CAS380 2.0 37.6 0.3 SG A:CAS380 2.3 23.2 0.3 SG A:CAS380 3.0 30.0 0.7 CB A:CAS380 3.3 22.7 0.7 CB A:CAS380 3.3 23.3 0.3 CA A:CAS380 3.4 24.9 0.7 CA A:CAS380 3.5 24.3 0.3 O A:CAS380 4.0 22.1 1.0 C A:CAS380 4.2 24.2 1.0 AS A:CAS380 4.4 38.8 0.7 CE1 A:CAS380 4.4 42.5 0.7 N A:CAS380 4.6 21.3 1.0 CB A:SER383 4.8 26.0 0.5 OG A:SER383 4.8 27.0 0.5 O A:HOH760 4.8 45.9 1.0 CB A:SER383 4.9 26.1 0.5 CG2 A:VAL294 5.0 31.1 1.0

Arsenic binding site 6 out of 6 in the Crystal Structure of Tr-Alpha Bound to T3 in A Second Site


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Crystal Structure of Tr-Alpha Bound to T3 in A Second Site within 5.0Å range: probe atom residue distance (Å) B Occ A:As392 b:49.5 occ:1.00 AS A:CAS392 0.0 49.5 1.0 CE2 A:CAS392 1.9 34.6 1.0 CE1 A:CAS392 2.0 45.1 1.0 SG A:CAS392 2.2 27.1 1.0 CB A:CAS392 3.2 24.1 1.0 CG1 A:VAL210 4.4 26.2 1.0 CD1 A:LEU212 4.4 29.9 0.6 CG1 A:VAL202 4.5 33.1 1.0 CA A:CAS392 4.5 27.0 1.0 CD2 A:LEU212 4.6 29.8 0.5 O A:MET388 4.6 27.4 1.0 CE2 A:PHE215 4.6 27.4 1.0 CD2 A:PHE215 4.7 25.5 1.0 CZ A:PHE215 4.7 26.5 1.0 CG A:PHE215 4.7 25.7 1.0 CE1 A:PHE215 4.7 25.7 1.0 CB A:VAL210 4.7 22.8 1.0 CD1 A:PHE215 4.7 25.6 1.0 N A:CAS392 4.8 26.2 1.0 CD1 A:LEU396 4.8 32.8 1.0 CG2 A:VAL210 5.0 25.3 1.0 CB A:MET388 5.0 21.1 0.4

P.C.Souza, A.C.Puhl, L.Martinez, R.Aparicio, A.S.Nascimento, A.C.Figueira, P.Nguyen, P.Webb, M.S.Skaf, I.Polikarpov. Identification of A New Hormone-Binding Site on the Surface of Thyroid Hormone Receptor. Mol.Endocrinol. V. 28 534 2014.
ISSN: ISSN 0888-8809
PubMed: 24552590
DOI: 10.1210/ME.2013-1359