Iodine in PDB 1ovl: Crystal Structure of NURR1 Lbd

The structure of Crystal Structure of NURR1 Lbd, PDB code: 1ovl was solved by Z.Wang, J.Liu, N.Walker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	500.00 / 2.20
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	80.383, 80.383, 227.370, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The structure of Crystal Structure of NURR1 Lbd also contains other interesting chemical elements:

Potassium	(K)	8 atoms
Bromine	(Br)	19 atoms

The binding sites of Iodine atom in the Crystal Structure of NURR1 Lbd (pdb code 1ovl). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of NURR1 Lbd, PDB code: 1ovl:

Iodine binding site 1 out of 1 in the Crystal Structure of NURR1 Lbd


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of NURR1 Lbd within 5.0Å range: probe atom residue distance (Å) B Occ B:I900 b:35.3 occ:1.00 O B:HOH985 3.0 42.0 1.0 CB B:ASN550 3.7 28.1 1.0 N B:ASN550 3.7 23.6 1.0 CA B:ARG548 3.8 20.7 1.0 N E:LEU345 3.8 24.5 1.0 O B:HOH939 3.9 33.9 1.0 CB B:ARG548 3.9 19.1 1.0 C B:ARG548 3.9 21.3 1.0 N B:TYR551 4.0 23.1 1.0 CB E:ARG344 4.0 19.1 1.0 CA E:ARG344 4.1 22.9 1.0 CA B:ASN550 4.1 25.3 1.0 N B:PRO549 4.2 23.1 1.0 O E:LEU345 4.2 24.5 1.0 OD1 B:ASN550 4.3 36.5 1.0 CD B:PRO549 4.3 23.4 1.0 CG E:ARG344 4.4 21.9 1.0 O B:ARG548 4.4 21.6 1.0 CG B:ASN550 4.5 31.9 1.0 C E:ARG344 4.5 23.8 1.0 C B:ASN550 4.6 23.8 1.0 CG B:ARG548 4.7 21.2 1.0 C B:PRO549 4.8 21.2 1.0 CG B:PRO549 4.8 21.1 1.0 CA E:LEU345 4.8 26.2 1.0 CB B:TYR551 4.9 24.8 1.0 CB E:LEU345 4.9 27.6 1.0 NE B:ARG548 5.0 22.5 1.0 C E:LEU345 5.0 26.4 1.0

Z.Wang, G.Benoit, J.Liu, S.Prasad, P.Aarnisalo, X.Liu, H.Xu, N.Walker, T.Perlmann. Structure and Function of NURR1 Identifies A Class of Ligand-Independent Nuclear Receptors Nature V. 423 555 2003.
ISSN: ISSN 0028-0836
PubMed: 12774125
DOI: 10.1038/NATURE01645