Iodine in PDB 2ydf: Human Serum Albumin Complexed with Iophenoxic Acid

The structure of Human Serum Albumin Complexed with Iophenoxic Acid, PDB code: 2ydf was solved by A.J.Ryan, S.Curry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.124 / 2.75
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	55.072, 55.440, 119.845, 81.00, 90.83, 64.52
R / Rfree (%)	20.66 / 23.93

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Iodine atom in the Human Serum Albumin Complexed with Iophenoxic Acid (pdb code 2ydf). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 24 binding sites of Iodine where determined in the Human Serum Albumin Complexed with Iophenoxic Acid, PDB code: 2ydf:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 24 in the Human Serum Albumin Complexed with Iophenoxic 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 Iophenoxic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:22.0 occ:1.00 I1 A:IO32001 0.0 22.0 1.0 C2 A:IO32001 2.1 16.2 1.0 C3 A:IO32001 3.0 17.7 1.0 C1 A:IO32001 3.1 14.0 1.0 C7 A:IO32001 3.3 0.0 1.0 CD2 A:LEU219 3.7 13.0 1.0 C11 A:IO32001 4.1 27.3 1.0 CZ A:PHE223 4.2 9.3 1.0 CG2 A:ILE290 4.2 23.8 1.0 C4 A:IO32001 4.3 19.2 1.0 CE2 A:PHE223 4.3 7.7 1.0 O A:ILE290 4.3 29.6 1.0 C6 A:IO32001 4.4 10.1 1.0 C10 A:IO32001 4.4 22.9 1.0 C8 A:IO32001 4.5 19.3 1.0 CA A:ALA291 4.6 23.3 1.0 NH2 A:ARG222 4.6 46.5 1.0 C A:ILE290 4.8 25.7 1.0 CD1 A:LEU238 4.8 2.3 1.0 NE A:ARG222 4.8 35.0 1.0 C5 A:IO32001 4.9 12.0 1.0 N A:ALA291 4.9 23.3 1.0 O3 A:IO32001 4.9 27.5 1.0

Iodine binding site 2 out of 24 in the Human Serum Albumin Complexed with Iophenoxic 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 Iophenoxic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:27.1 occ:1.00 I2 A:IO32001 0.0 27.1 1.0 C4 A:IO32001 2.1 19.2 1.0 C3 A:IO32001 3.0 17.7 1.0 C5 A:IO32001 3.0 12.0 1.0 O1 A:IO32001 3.2 6.9 1.0 CD2 A:LEU260 3.8 25.6 1.0 NE A:ARG257 3.9 25.7 1.0 CG A:ARG257 4.0 14.9 1.0 C2 A:IO32001 4.3 16.2 1.0 C6 A:IO32001 4.3 10.1 1.0 CG A:LEU260 4.4 18.0 1.0 O A:ARG257 4.4 12.8 1.0 CB A:ALA261 4.4 7.0 1.0 N A:ALA261 4.5 27.9 1.0 CA A:ALA261 4.6 26.4 1.0 CD A:ARG257 4.6 20.2 1.0 NH2 A:ARG257 4.6 33.8 1.0 CZ A:ARG257 4.7 31.5 1.0 CB A:LEU260 4.7 21.1 1.0 CD1 A:ILE264 4.8 32.5 1.0 O A:SER287 4.8 31.5 1.0 C1 A:IO32001 4.9 14.0 1.0 CD2 A:LEU238 4.9 4.5 1.0

Iodine binding site 3 out of 24 in the Human Serum Albumin Complexed with Iophenoxic Acid


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 Iophenoxic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:14.7 occ:1.00 I3 A:IO32001 0.0 14.7 1.0 C6 A:IO32001 2.1 10.1 1.0 C5 A:IO32001 3.0 12.0 1.0 O1 A:IO32001 3.1 6.9 1.0 C1 A:IO32001 3.1 14.0 1.0 C8 A:IO32001 3.2 19.3 1.0 C7 A:IO32001 3.4 0.0 1.0 CE2 A:TYR150 3.7 13.1 1.0 O A:HOH2011 3.8 0.8 1.0 CE1 A:HIS242 3.9 27.2 1.0 NE2 A:HIS242 3.9 26.9 1.0 CB A:ALA291 3.9 28.6 1.0 CE A:LYS199 4.1 7.0 1.0 C10 A:IO32001 4.2 22.9 1.0 C9 A:IO32001 4.3 20.4 1.0 C4 A:IO32001 4.3 19.2 1.0 O2 A:IO32001 4.3 13.7 1.0 CD2 A:TYR150 4.3 10.7 1.0 C2 A:IO32001 4.4 16.2 1.0 CZ A:TYR150 4.4 16.0 1.0 OH A:TYR150 4.4 18.0 1.0 NZ A:LYS199 4.4 7.0 1.0 NH2 A:ARG257 4.7 33.8 1.0 C3 A:IO32001 4.9 17.7 1.0 CA A:ALA291 5.0 23.3 1.0

Iodine binding site 4 out of 24 in the Human Serum Albumin Complexed with Iophenoxic Acid


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 Iophenoxic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2002 b:37.1 occ:1.00 I1 A:IO32002 0.0 37.1 1.0 C2 A:IO32002 2.1 30.1 1.0 C3 A:IO32002 3.0 34.4 1.0 C1 A:IO32002 3.1 28.1 1.0 C7 A:IO32002 3.3 25.9 1.0 C8 A:IO32002 3.6 26.6 1.0 CB A:LEU387 3.9 8.2 1.0 C10 A:IO32002 3.9 35.7 1.0 CD1 A:LEU453 4.0 0.0 1.0 CD1 A:ILE388 4.0 10.4 1.0 CD A:ARG485 4.1 14.3 1.0 NE A:ARG485 4.1 10.2 1.0 NH1 A:ARG485 4.1 6.2 1.0 CZ A:ARG485 4.2 11.0 1.0 C4 A:IO32002 4.3 33.0 1.0 C6 A:IO32002 4.4 27.4 1.0 CD1 A:LEU387 4.4 18.7 1.0 N A:ILE388 4.6 9.5 1.0 C A:LEU387 4.7 7.2 1.0 CG1 A:ILE388 4.7 12.7 1.0 CG A:LEU387 4.8 10.5 1.0 C11 A:IO32002 4.8 39.9 1.0 NH2 A:ARG485 4.8 16.1 1.0 C5 A:IO32002 4.9 30.6 1.0 CA A:LEU387 4.9 5.8 1.0 O A:PRO384 4.9 13.4 1.0 CG A:ARG485 5.0 13.3 1.0

Iodine binding site 5 out of 24 in the Human Serum Albumin Complexed with Iophenoxic Acid


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 Iophenoxic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2002 b:41.8 occ:1.00 I2 A:IO32002 0.0 41.8 1.0 C4 A:IO32002 2.1 33.0 1.0 C3 A:IO32002 3.0 34.4 1.0 C5 A:IO32002 3.1 30.6 1.0 O1 A:IO32002 3.2 33.8 1.0 SG A:CYS392 3.8 22.5 1.0 SG A:CYS438 3.8 18.9 1.0 CD1 A:ILE388 4.0 10.4 1.0 O A:ILE388 4.1 23.4 1.0 CB A:ASN391 4.1 10.0 1.0 C2 A:IO32002 4.3 30.1 1.0 N A:CYS392 4.3 10.8 1.0 CA A:ILE388 4.3 16.2 1.0 C6 A:IO32002 4.4 27.4 1.0 CG1 A:VAL433 4.4 28.2 1.0 CG2 A:ILE388 4.5 13.1 1.0 CB A:ALA449 4.5 0.0 1.0 C A:ASN391 4.5 19.8 1.0 C A:ILE388 4.7 20.6 1.0 CA A:CYS392 4.7 12.3 1.0 CG2 A:VAL433 4.8 24.8 1.0 CB A:CYS392 4.8 5.9 1.0 C1 A:IO32002 4.9 28.1 1.0 CB A:ILE388 4.9 14.5 1.0 CA A:ASN391 4.9 21.6 1.0 O A:ASN391 4.9 19.9 1.0

Iodine binding site 6 out of 24 in the Human Serum Albumin Complexed with Iophenoxic Acid


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 Iophenoxic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2002 b:48.6 occ:1.00 I3 A:IO32002 0.0 48.6 1.0 C6 A:IO32002 2.1 27.4 1.0 C1 A:IO32002 3.0 28.1 1.0 C5 A:IO32002 3.0 30.6 1.0 C7 A:IO32002 3.2 25.9 1.0 O1 A:IO32002 3.2 33.8 1.0 O3 A:IO32002 3.3 25.7 1.0 CD2 A:LEU407 3.7 8.3 1.0 CD1 A:LEU407 3.8 14.0 1.0 C8 A:IO32002 4.1 26.6 1.0 C9 A:IO32002 4.1 25.8 1.0 CD2 A:LEU430 4.2 26.5 1.0 C10 A:IO32002 4.3 35.7 1.0 O A:LEU430 4.3 8.7 1.0 C2 A:IO32002 4.3 30.1 1.0 C4 A:IO32002 4.3 33.0 1.0 ND2 A:ASN391 4.3 23.4 1.0 CG A:LEU407 4.4 9.3 1.0 NH2 A:ARG410 4.5 53.3 1.0 CZ A:PHE403 4.5 19.8 1.0 CG A:LEU430 4.5 20.4 1.0 CD2 A:LEU453 4.7 5.0 1.0 CB A:LEU430 4.7 16.2 1.0 CG1 A:VAL433 4.7 28.2 1.0 C3 A:IO32002 4.8 34.4 1.0 C A:LEU430 4.9 9.9 1.0 CE2 A:PHE403 4.9 24.0 1.0 CG A:ASN391 5.0 16.3 1.0

Iodine binding site 7 out of 24 in the Human Serum Albumin Complexed with Iophenoxic Acid


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 Iophenoxic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2003 b:82.4 occ:1.00 I1 A:IO32003 0.0 82.4 1.0 C2 A:IO32003 2.1 86.8 1.0 C3 A:IO32003 3.0 82.6 1.0 C1 A:IO32003 3.1 86.1 1.0 C7 A:IO32003 3.4 87.8 1.0 O2 A:IO32003 3.8 88.2 1.0 NE2 A:HIS146 3.8 14.1 1.0 C8 A:IO32003 3.8 88.1 1.0 CD1 A:ILE142 4.0 8.7 1.0 CD2 A:HIS146 4.0 15.4 1.0 CG A:LYS190 4.0 14.9 1.0 O A:ARG186 4.0 27.5 1.0 C9 A:IO32003 4.0 87.7 1.0 N A:LYS190 4.0 23.1 1.0 C A:GLY189 4.1 24.3 1.0 CA A:GLY189 4.3 8.2 1.0 C4 A:IO32003 4.3 77.5 1.0 C6 A:IO32003 4.4 79.0 1.0 O A:GLY189 4.5 22.2 1.0 CA A:LYS190 4.6 20.4 1.0 CG2 A:ILE142 4.8 17.5 1.0 CA A:ARG186 4.9 23.4 1.0 C5 A:IO32003 4.9 74.3 1.0 C A:ARG186 4.9 23.0 1.0 CE2 A:PHE149 4.9 13.1 1.0 CB A:LYS190 4.9 20.3 1.0 CE1 A:HIS146 5.0 12.5 1.0

Iodine binding site 8 out of 24 in the Human Serum Albumin Complexed with Iophenoxic Acid


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 Iophenoxic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2003 b:0.4 occ:1.00 I2 A:IO32003 0.0 0.4 1.0 C4 A:IO32003 2.1 77.5 1.0 C5 A:IO32003 3.0 74.3 1.0 C3 A:IO32003 3.1 82.6 1.0 O1 A:IO32003 3.2 71.7 1.0 CB A:LEU185 3.7 36.3 1.0 N A:ARG186 3.8 30.4 1.0 O A:LEU182 3.8 25.5 1.0 CE1 A:TYR138 4.0 54.6 1.0 CE1 A:TYR161 4.1 54.1 1.0 C A:LEU185 4.2 32.4 1.0 CA A:ARG186 4.2 23.4 1.0 CD1 A:TYR161 4.2 50.4 1.0 OH A:TYR138 4.3 55.5 1.0 C6 A:IO32003 4.3 79.0 1.0 C2 A:IO32003 4.4 86.8 1.0 CD2 A:LEU182 4.4 20.5 1.0 CA A:LEU185 4.6 34.3 1.0 CB A:ARG186 4.6 19.1 1.0 CD1 A:LEU185 4.6 41.6 1.0 CZ A:TYR138 4.7 55.0 1.0 O A:LEU185 4.7 35.9 1.0 C A:LEU182 4.8 31.2 1.0 CG A:LEU185 4.8 40.5 1.0 NH1 A:ARG117 4.8 91.1 1.0 CA A:LEU182 4.9 27.7 1.0 C1 A:IO32003 4.9 86.1 1.0

Iodine binding site 9 out of 24 in the Human Serum Albumin Complexed with Iophenoxic Acid


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 Iophenoxic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2003 b:0.5 occ:1.00 I3 A:IO32003 0.0 0.5 1.0 C6 A:IO32003 2.1 79.0 1.0 C5 A:IO32003 3.0 74.3 1.0 C1 A:IO32003 3.1 86.1 1.0 O1 A:IO32003 3.1 71.7 1.0 C7 A:IO32003 3.2 87.8 1.0 C10 A:IO32003 3.4 88.6 1.0 C8 A:IO32003 3.9 88.1 1.0 O A:LEU115 4.0 59.0 1.0 C11 A:IO32003 4.0 86.6 1.0 CB A:LEU115 4.0 50.0 1.0 C4 A:IO32003 4.3 77.5 1.0 C2 A:IO32003 4.4 86.8 1.0 CG A:ARG186 4.6 16.4 1.0 C A:LEU115 4.8 58.5 1.0 C3 A:IO32003 4.9 82.6 1.0 CA A:LEU115 5.0 52.9 1.0

Iodine binding site 10 out of 24 in the Human Serum Albumin Complexed with Iophenoxic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Human Serum Albumin Complexed with Iophenoxic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2004 b:0.8 occ:1.00 I1 A:IO32004 0.0 0.8 1.0 C2 A:IO32004 2.1 96.4 1.0 C3 A:IO32004 3.0 94.9 1.0 C1 A:IO32004 3.1 97.6 1.0 C7 A:IO32004 3.3 98.3 1.0 CG1 A:VAL409 3.6 11.9 1.0 O3 A:IO32004 3.9 93.5 1.0 CB A:VAL409 3.9 13.5 1.0 CB A:LYS541 4.2 71.5 1.0 CG A:ARG410 4.2 28.2 1.0 C9 A:IO32004 4.2 93.4 1.0 N A:ARG410 4.3 13.7 1.0 C4 A:IO32004 4.4 94.4 1.0 C8 A:IO32004 4.4 96.5 1.0 O A:ALA406 4.4 18.1 1.0 C6 A:IO32004 4.4 95.8 1.0 C A:VAL409 4.6 18.3 1.0 CA A:ARG410 4.7 10.3 1.0 CB A:ARG410 4.9 13.1 1.0 C5 A:IO32004 4.9 94.0 1.0 CA A:VAL409 4.9 16.6 1.0 CG2 A:VAL409 4.9 14.4 1.0 CD A:ARG410 5.0 40.7 1.0 CA A:LYS541 5.0 69.0 1.0 NZ A:LYS413 5.0 24.7 1.0

A.J.Ryan, C.W.Chung, S.Curry. Crystallographic Analysis Reveals the Structural Basis of the High-Affinity Binding of Iophenoxic Acid to Human Serum Albumin. Bmc Struct.Biol. V. 11 18 2011.
ISSN: ISSN 1472-6807
PubMed: 21501503
DOI: 10.1186/1472-6807-11-18