Iodine in PDB 2bxl: Human Serum Albumin Complexed with Myristate and 3,5- Diiodosalicylic Acid

The structure of Human Serum Albumin Complexed with Myristate and 3,5- Diiodosalicylic Acid, PDB code: 2bxl was solved by J.Ghuman, P.A.Zunszain, I.Petitpas, A.A.Bhattacharya, S.Curry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.78 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	191.910, 39.180, 95.920, 90.00, 104.99, 90.00
R / Rfree (%)	19.9 / 24.2

The binding sites of Iodine atom in the Human Serum Albumin Complexed with Myristate and 3,5- Diiodosalicylic Acid (pdb code 2bxl). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Human Serum Albumin Complexed with Myristate and 3,5- Diiodosalicylic Acid, PDB code: 2bxl:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Human Serum Albumin Complexed with Myristate and 3,5- Diiodosalicylic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Human Serum Albumin Complexed with Myristate and 3,5- Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I3001 b:75.0 occ:1.00 I1 A:DIU3001 0.0 75.0 1.0 C3 A:DIU3001 2.0 73.4 1.0 C4 A:DIU3001 3.0 72.8 1.0 C2 A:DIU3001 3.0 71.5 1.0 O3 A:DIU3001 3.2 70.5 1.0 CD2 A:LEU219 3.7 47.8 1.0 CD1 A:ILE264 4.1 56.2 1.0 CE1 A:PHE223 4.2 42.6 1.0 CG2 A:ILE290 4.2 54.3 1.0 C5 A:DIU3001 4.3 72.4 1.0 CZ A:PHE223 4.4 44.4 1.0 C1 A:DIU3001 4.4 70.5 1.0 CD1 A:LEU219 4.4 43.4 1.0 CG A:LEU219 4.7 45.0 1.0 CD2 A:LEU238 4.8 48.5 1.0 O A:ILE290 4.9 53.8 1.0 C6 A:DIU3001 4.9 70.5 1.0

Iodine binding site 2 out of 2 in the Human Serum Albumin Complexed with Myristate and 3,5- Diiodosalicylic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Human Serum Albumin Complexed with Myristate and 3,5- Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I3001 b:74.6 occ:1.00 I2 A:DIU3001 0.0 74.6 1.0 C5 A:DIU3001 2.1 72.4 1.0 C4 A:DIU3001 3.0 72.8 1.0 C6 A:DIU3001 3.0 70.5 1.0 O A:ARG257 3.5 47.8 1.0 CB A:SER287 3.7 63.6 1.0 CB A:LEU260 3.9 51.6 1.0 N A:ALA261 3.9 51.1 1.0 CG A:LEU260 4.0 53.8 1.0 CA A:ARG257 4.1 49.3 1.0 CD2 A:LEU260 4.2 52.9 1.0 C A:ARG257 4.2 48.7 1.0 CB A:ALA261 4.2 50.3 1.0 CA A:ALA261 4.3 51.7 1.0 CB A:ARG257 4.3 50.8 1.0 C A:LEU260 4.3 52.8 1.0 C3 A:DIU3001 4.3 73.4 1.0 CA A:SER287 4.4 62.7 1.0 C1 A:DIU3001 4.4 70.5 1.0 CG A:ARG257 4.5 51.5 1.0 CA A:LEU260 4.7 52.5 1.0 O A:LEU260 4.9 53.5 1.0 C2 A:DIU3001 4.9 71.5 1.0 O A:SER287 4.9 60.0 1.0 OG A:SER287 5.0 66.5 1.0

J.Ghuman, P.A.Zunszain, I.Petitpas, A.A.Bhattacharya, M.Otagiri, S.Curry. Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol. V. 353 38 2005.
ISSN: ISSN 0022-2836
PubMed: 16169013
DOI: 10.1016/J.JMB.2005.07.075