Arsenic in PDB 4lnx: Crystal Structure of Tr-Alpha Bound to T4 in A Second Site

The structure of Crystal Structure of Tr-Alpha Bound to T4 in A Second Site, PDB code: 4lnx 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)	37.60 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.744, 80.924, 101.871, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 17.7

The structure of Crystal Structure of Tr-Alpha Bound to T4 in A Second Site also contains other interesting chemical elements:

Iodine

(I)

7 atoms

The binding sites of Arsenic atom in the Crystal Structure of Tr-Alpha Bound to T4 in A Second Site (pdb code 4lnx). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the Crystal Structure of Tr-Alpha Bound to T4 in A Second Site, PDB code: 4lnx:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in the Crystal Structure of Tr-Alpha Bound to T4 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 T4 in A Second Site within 5.0Å range: probe atom residue distance (Å) B Occ A:As244 b:23.3 occ:1.00 AS A:CAS244 0.0 23.3 1.0 CE2 A:CAS244 1.9 21.8 1.0 CE1 A:CAS244 2.0 17.1 1.0 SG A:CAS244 2.3 19.6 1.0 CB A:CAS244 3.3 20.5 1.0 CA A:CAS244 3.6 22.8 1.0 NE2 A:GLN247 3.6 17.2 1.0 N A:CAS244 4.0 18.8 1.0 O A:HOH655 4.1 33.5 1.0 CD A:GLN247 4.1 20.3 1.0 OE1 A:GLN247 4.2 16.8 1.0 O A:LEU242 4.7 17.8 1.0 O A:HOH713 4.7 54.9 1.0 C A:PRO243 4.9 18.8 1.0 C A:CAS244 5.0 22.2 1.0

Arsenic binding site 2 out of 4 in the Crystal Structure of Tr-Alpha Bound to T4 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 T4 in A Second Site within 5.0Å range: probe atom residue distance (Å) B Occ A:As334 b:38.0 occ:1.00 AS A:CAS334 0.0 38.0 1.0 CE1 A:CAS334 1.9 23.2 1.0 CE2 A:CAS334 2.0 60.1 0.5 SG A:CAS334 2.3 21.8 1.0 CB A:CAS334 3.3 20.1 1.0 CA A:CAS334 3.6 21.1 1.0 O A:HOH672 3.8 22.5 1.0 CD2 A:LEU333 4.0 27.0 0.5 N A:CAS334 4.2 21.6 1.0 CG A:LEU333 4.2 27.2 0.5 C A:LEU333 4.5 29.6 1.0 O A:LEU333 4.5 34.6 1.0 C A:CAS334 4.8 20.1 1.0

Arsenic binding site 3 out of 4 in the Crystal Structure of Tr-Alpha Bound to T4 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 T4 in A Second Site within 5.0Å range: probe atom residue distance (Å) B Occ A:As380 b:42.9 occ:0.90 AS A:CAS380 0.0 42.9 0.9 CE1 A:CAS380 2.0 46.9 0.9 CE2 A:CAS380 2.0 43.0 0.9 SG A:CAS380 2.3 36.8 0.9 CB A:CAS380 3.2 23.6 1.0 O A:MET376 4.3 24.7 1.0 CB A:ALA298 4.4 20.6 1.0 O A:HOH735 4.5 55.4 1.0 CA A:CAS380 4.6 23.5 1.0 CG2 A:VAL294 4.6 29.1 1.0 CG2 A:VAL295 4.7 25.3 1.0 CA A:VAL295 4.7 22.4 1.0 O A:HOH785 4.8 57.5 1.0 O A:HOH839 4.8 49.5 1.0 O A:VAL294 4.8 25.3 1.0 CA A:ILE377 4.9 19.1 1.0 C A:MET376 4.9 26.2 1.0 N A:VAL295 5.0 20.4 1.0

Arsenic binding site 4 out of 4 in the Crystal Structure of Tr-Alpha Bound to T4 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 T4 in A Second Site within 5.0Å range: probe atom residue distance (Å) B Occ A:As392 b:44.0 occ:1.00 AS A:CAS392 0.0 44.0 1.0 CE2 A:CAS392 1.9 41.9 1.0 CE1 A:CAS392 2.0 32.2 1.0 SG A:CAS392 2.2 26.3 1.0 CB A:CAS392 3.3 18.3 1.0 CD2 A:LEU212 3.9 30.2 1.0 CG1 A:VAL210 4.3 19.5 1.0 CG1 A:VAL202 4.4 25.2 1.0 CA A:CAS392 4.5 21.7 1.0 CB A:VAL210 4.6 21.9 1.0 O A:MET388 4.8 25.2 1.0 N A:CAS392 4.9 22.5 1.0 CG2 A:VAL210 4.9 21.7 1.0 CB A:VAL202 4.9 23.0 1.0 CG A:PHE215 4.9 21.2 1.0 CD1 A:PHE215 4.9 25.5 1.0 CD2 A:PHE215 4.9 24.8 1.0 CE1 A:PHE215 5.0 26.9 1.0 CE2 A:PHE215 5.0 27.0 1.0 CZ A:PHE215 5.0 25.9 1.0

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