Iodine in PDB 2bxn: Human Serum Albumin Complexed with Myristate and Iodipamide

The structure of Human Serum Albumin Complexed with Myristate and Iodipamide, PDB code: 2bxn 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)	34.45 / 2.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	188.230, 38.810, 95.650, 90.00, 105.09, 90.00
R / Rfree (%)	20.7 / 26.4

The binding sites of Iodine atom in the Human Serum Albumin Complexed with Myristate and Iodipamide (pdb code 2bxn). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 9 binding sites of Iodine where determined in the Human Serum Albumin Complexed with Myristate and Iodipamide, PDB code: 2bxn:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iodine binding site 1 out of 9 in the Human Serum Albumin Complexed with Myristate and Iodipamide


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 Iodipamide within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:0.8 occ:1.00 I1 A:IDB2001 0.0 0.8 1.0 C2 A:IDB2001 2.1 0.1 1.0 O1 A:IDB2001 3.0 0.4 1.0 C1 A:IDB2001 3.1 0.6 1.0 C3 A:IDB2001 3.2 0.2 1.0 C9 A:IDB2001 3.2 0.6 1.0 O3 A:IDB2001 3.5 0.5 1.0 C7 A:IDB2001 3.5 0.7 1.0 N1 A:IDB2001 3.5 0.2 1.0 O2 A:IDB2001 3.8 0.7 1.0 CZ2 A:TRP214 3.8 47.0 1.0 CH2 A:TRP214 4.0 50.3 1.0 CD2 A:LEU198 4.2 68.6 1.0 CG A:LYS199 4.3 59.1 1.0 C6 A:IDB2001 4.4 0.7 1.0 C4 A:IDB2001 4.5 0.9 1.0 CE2 A:TRP214 4.5 44.3 1.0 OG A:SER454 4.6 47.8 1.0 CZ3 A:TRP214 4.8 50.0 1.0 CG A:LEU198 4.8 67.4 1.0 CB A:SER454 4.8 45.3 1.0 C8 A:IDB2001 4.8 0.7 1.0 CD A:LYS199 5.0 60.8 1.0

Iodine binding site 2 out of 9 in the Human Serum Albumin Complexed with Myristate and Iodipamide


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 Iodipamide within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:0.5 occ:1.00 I2 A:IDB2001 0.0 0.5 1.0 C4 A:IDB2001 2.1 0.9 1.0 C5 A:IDB2001 3.0 1.0 1.0 C3 A:IDB2001 3.1 0.2 1.0 N1 A:IDB2001 3.2 0.2 1.0 CE3 A:TRP214 3.7 46.1 1.0 CZ A:PHE211 4.0 44.6 1.0 CE1 A:PHE211 4.0 42.8 1.0 C10 A:IDB2001 4.0 0.1 1.0 O4 A:IDB2001 4.1 0.5 1.0 CZ3 A:TRP214 4.2 50.0 1.0 C7 A:IDB2001 4.3 0.7 1.0 C6 A:IDB2001 4.4 0.7 1.0 C2 A:IDB2001 4.4 0.1 1.0 CD2 A:TRP214 4.5 42.0 1.0 CD2 A:LEU238 4.6 49.1 1.0 CA A:ALA215 4.7 37.3 1.0 CE A:LYS199 4.7 63.0 1.0 CB A:ALA215 4.8 36.9 1.0 N A:ALA215 4.8 36.8 1.0 C8 A:IDB2001 4.8 0.7 1.0 CE2 A:PHE211 4.8 41.5 1.0 CD1 A:PHE211 4.8 39.3 1.0 CB A:TRP214 4.8 39.5 1.0 CE1 A:HIS242 4.9 58.5 1.0 C1 A:IDB2001 5.0 0.6 1.0 C18 A:IDB2001 5.0 0.3 1.0

Iodine binding site 3 out of 9 in the Human Serum Albumin Complexed with Myristate and Iodipamide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Human Serum Albumin Complexed with Myristate and Iodipamide within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:0.1 occ:1.00 I3 A:IDB2001 0.0 0.1 1.0 C6 A:IDB2001 2.1 0.7 1.0 C5 A:IDB2001 3.1 1.0 1.0 C1 A:IDB2001 3.1 0.6 1.0 C9 A:IDB2001 3.3 0.6 1.0 CB A:SER202 3.5 51.4 1.0 O2 A:IDB2001 3.6 0.7 1.0 O3 A:IDB2001 3.9 0.5 1.0 CD1 A:TRP214 3.9 43.8 1.0 OG A:SER202 4.0 52.1 1.0 CG A:TRP214 4.2 41.6 1.0 CD1 A:PHE211 4.3 39.3 1.0 CA A:PHE211 4.4 39.2 1.0 CB A:TRP214 4.4 39.5 1.0 C4 A:IDB2001 4.4 0.9 1.0 C2 A:IDB2001 4.5 0.1 1.0 NE1 A:TRP214 4.5 47.2 1.0 O A:ALA210 4.6 42.5 1.0 CB A:PHE211 4.8 39.0 1.0 CA A:SER202 4.8 52.7 1.0 N A:PHE211 4.8 40.9 1.0 C A:SER202 4.9 53.8 1.0 C A:ALA210 4.9 43.4 1.0 CD2 A:TRP214 4.9 42.0 1.0 CD2 A:LEU481 5.0 73.6 1.0 CG A:PHE211 5.0 40.5 1.0

Iodine binding site 4 out of 9 in the Human Serum Albumin Complexed with Myristate and Iodipamide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Human Serum Albumin Complexed with Myristate and Iodipamide within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:0.9 occ:1.00 I4 A:IDB2001 0.0 0.9 1.0 C13 A:IDB2001 2.1 0.1 1.0 C12 A:IDB2001 3.1 0.8 1.0 C14 A:IDB2001 3.1 0.3 1.0 C20 A:IDB2001 3.3 0.4 1.0 N2 A:IDB2001 3.3 0.5 1.0 O6 A:IDB2001 3.6 0.9 1.0 C18 A:IDB2001 3.6 0.3 1.0 NZ A:LYS199 3.7 65.1 1.0 O4 A:IDB2001 3.7 0.5 1.0 O5 A:IDB2001 3.8 0.4 1.0 CB A:ALA291 3.9 53.1 1.0 NE2 A:HIS242 4.2 58.5 1.0 C11 A:IDB2001 4.3 0.1 1.0 CE1 A:HIS242 4.4 58.5 1.0 C17 A:IDB2001 4.4 0.9 1.0 C15 A:IDB2001 4.4 0.5 1.0 C19 A:IDB2001 4.5 0.7 1.0 C10 A:IDB2001 4.7 0.1 1.0 O A:HOH2008 4.8 57.6 1.0 CA A:ALA291 4.9 54.6 1.0 C16 A:IDB2001 5.0 0.9 1.0

Iodine binding site 5 out of 9 in the Human Serum Albumin Complexed with Myristate and Iodipamide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Human Serum Albumin Complexed with Myristate and Iodipamide within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:0.4 occ:1.00 I5 A:IDB2001 0.0 0.4 1.0 C15 A:IDB2001 2.1 0.5 1.0 C16 A:IDB2001 3.0 0.9 1.0 C14 A:IDB2001 3.1 0.3 1.0 N2 A:IDB2001 3.3 0.5 1.0 CD2 A:LEU219 3.4 39.5 1.0 C18 A:IDB2001 4.1 0.3 1.0 CZ A:PHE223 4.2 43.2 1.0 CE2 A:PHE223 4.2 42.5 1.0 C17 A:IDB2001 4.3 0.9 1.0 C13 A:IDB2001 4.4 0.1 1.0 O4 A:IDB2001 4.5 0.5 1.0 CG2 A:ILE290 4.7 50.7 1.0 CG A:LEU219 4.8 39.2 1.0 O A:ILE290 4.8 52.2 1.0 CA A:ALA291 4.8 54.6 1.0 C19 A:IDB2001 4.9 0.7 1.0 C12 A:IDB2001 4.9 0.8 1.0

Iodine binding site 6 out of 9 in the Human Serum Albumin Complexed with Myristate and Iodipamide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Human Serum Albumin Complexed with Myristate and Iodipamide within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:0.5 occ:1.00 I6 A:IDB2001 0.0 0.5 1.0 C17 A:IDB2001 2.1 0.9 1.0 C16 A:IDB2001 3.0 0.9 1.0 C12 A:IDB2001 3.1 0.8 1.0 C20 A:IDB2001 3.3 0.4 1.0 O5 A:IDB2001 3.6 0.4 1.0 O6 A:IDB2001 3.8 0.9 1.0 CD2 A:LEU260 4.0 53.3 1.0 CG A:LEU260 4.2 55.8 1.0 O A:ARG257 4.3 50.9 1.0 C15 A:IDB2001 4.4 0.5 1.0 C13 A:IDB2001 4.4 0.1 1.0 CB A:LEU260 4.4 55.8 1.0 OG A:SER287 4.4 62.1 1.0 CB A:SER287 4.5 56.9 1.0 CA A:ARG257 4.7 47.9 1.0 NE A:ARG257 4.8 51.3 1.0 CB A:ARG257 4.8 46.1 1.0 CA A:SER287 4.9 55.2 1.0 CD1 A:LEU238 4.9 49.8 1.0 CG A:ARG257 4.9 48.0 1.0 C14 A:IDB2001 5.0 0.3 1.0 C A:ARG257 5.0 48.1 1.0

Iodine binding site 7 out of 9 in the Human Serum Albumin Complexed with Myristate and Iodipamide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Human Serum Albumin Complexed with Myristate and Iodipamide within 5.0Å range: probe atom residue distance (Å) B Occ A:I2002 b:0.6 occ:1.00 I1 A:IDB2002 0.0 0.6 1.0 C2 A:IDB2002 2.1 0.6 1.0 C1 A:IDB2002 3.1 0.2 1.0 C3 A:IDB2002 3.1 0.8 1.0 N1 A:IDB2002 3.3 0.8 1.0 C9 A:IDB2002 3.3 0.1 1.0 O2 A:IDB2002 3.6 0.1 1.0 C7 A:IDB2002 3.8 0.1 1.0 O3 A:IDB2002 3.8 0.6 1.0 N A:GLU188 3.9 52.4 1.0 CA A:GLU188 4.0 52.1 1.0 CB A:ASP187 4.1 53.3 1.0 O1 A:IDB2002 4.1 0.2 1.0 C A:ASP187 4.2 53.2 1.0 CB A:GLU188 4.3 52.6 1.0 C6 A:IDB2002 4.4 0.3 1.0 C4 A:IDB2002 4.4 0.3 1.0 O A:ASP187 4.5 52.9 1.0 CG A:GLU188 4.6 55.0 1.0 C8 A:IDB2002 4.6 0.0 1.0 O A:GLU184 4.6 57.3 1.0 CA A:ASP187 4.8 52.8 1.0 OE1 A:GLU188 4.9 56.9 1.0 C5 A:IDB2002 5.0 0.7 1.0

Iodine binding site 8 out of 9 in the Human Serum Albumin Complexed with Myristate and Iodipamide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Human Serum Albumin Complexed with Myristate and Iodipamide within 5.0Å range: probe atom residue distance (Å) B Occ A:I2002 b:0.0 occ:1.00 I2 A:IDB2002 0.0 0.0 1.0 C4 A:IDB2002 2.1 0.3 1.0 C5 A:IDB2002 3.0 0.7 1.0 C3 A:IDB2002 3.1 0.8 1.0 N1 A:IDB2002 3.3 0.8 1.0 CG2 A:VAL456 3.8 37.6 1.0 C7 A:IDB2002 3.9 0.1 1.0 CB A:ASN429 4.1 56.5 1.0 O1 A:IDB2002 4.2 0.2 1.0 C6 A:IDB2002 4.4 0.3 1.0 C2 A:IDB2002 4.4 0.6 1.0 CG A:ASN429 4.6 59.6 1.0 OD1 A:ASN429 4.6 62.6 1.0 O A:ASN429 4.7 54.2 1.0 CA A:ASN429 4.7 54.5 1.0 C8 A:IDB2002 4.8 0.0 1.0 O A:TYR452 4.9 51.4 1.0 CG1 A:VAL455 4.9 48.9 1.0 CD1 A:TYR452 4.9 61.3 1.0 C1 A:IDB2002 5.0 0.2 1.0 C A:ASN429 5.0 54.5 1.0

Iodine binding site 9 out of 9 in the Human Serum Albumin Complexed with Myristate and Iodipamide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Human Serum Albumin Complexed with Myristate and Iodipamide within 5.0Å range: probe atom residue distance (Å) B Occ A:I2002 b:0.4 occ:1.00 I3 A:IDB2002 0.0 0.4 1.0 C6 A:IDB2002 2.1 0.3 1.0 C5 A:IDB2002 3.1 0.7 1.0 C1 A:IDB2002 3.1 0.2 1.0 C9 A:IDB2002 3.3 0.1 1.0 OD2 A:ASP451 3.5 59.8 1.0 O3 A:IDB2002 3.6 0.6 1.0 CE A:LYS195 3.7 57.9 1.0 CD2 A:TYR452 3.7 61.7 1.0 O2 A:IDB2002 3.8 0.1 1.0 CE2 A:TYR452 3.9 63.5 1.0 CG A:TYR452 3.9 58.8 1.0 NZ A:LYS195 4.0 60.5 1.0 O A:ASP451 4.0 51.6 1.0 CA A:TYR452 4.0 50.9 1.0 C A:ASP451 4.2 50.5 1.0 N A:TYR452 4.2 50.2 1.0 CZ A:TYR452 4.2 64.5 1.0 CD1 A:TYR452 4.3 61.3 1.0 C4 A:IDB2002 4.4 0.3 1.0 CB A:ALA191 4.4 53.1 1.0 C2 A:IDB2002 4.4 0.6 1.0 CG A:ASP451 4.4 61.0 1.0 CE1 A:TYR452 4.4 63.4 1.0 CB A:TYR452 4.5 54.8 1.0 CG2 A:VAL455 4.6 48.6 1.0 CB A:ASP451 4.6 55.5 1.0 C3 A:IDB2002 5.0 0.8 1.0 OH A:TYR452 5.0 65.9 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