Iodine in PDB 1bke: Human Serum Albumin in A Complex with Myristic Acid and Tri- Iodobenzoic Acid

The structure of Human Serum Albumin in A Complex with Myristic Acid and Tri- Iodobenzoic Acid, PDB code: 1bke was solved by S.Curry, H.Mandelkow, P.Brick, N.Franks, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	187.650, 38.870, 95.910, 90.00, 105.49, 90.00
R / Rfree (%)	17.7 / 24.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iodine atom in the Human Serum Albumin in A Complex with Myristic Acid and Tri- Iodobenzoic Acid (pdb code 1bke). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 12 binding sites of Iodine where determined in the Human Serum Albumin in A Complex with Myristic Acid and Tri- Iodobenzoic Acid, PDB code: 1bke:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 12 in the Human Serum Albumin in A Complex with Myristic Acid and Tri- Iodobenzoic 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 in A Complex with Myristic Acid and Tri- Iodobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:50.1 occ:0.62 I1 A:B3I2001 0.0 50.1 0.6 C6 A:B3I2001 2.0 50.1 0.1 C2 A:B3I2001 2.0 50.1 0.6 C5 A:B3I2001 2.9 50.1 0.1 C3 A:B3I2001 3.0 50.1 0.6 C1 A:B3I2001 3.0 50.1 0.6 C1 A:B3I2001 3.0 50.1 0.1 C A:B3I2001 3.2 50.1 0.6 C A:B3I2001 3.3 50.1 0.1 I3 A:B3I2001 3.4 50.1 0.1 O1 A:B3I2001 3.4 50.1 0.6 NH1 A:ARG257 3.4 42.2 1.0 I2 A:B3I2001 3.5 50.1 0.6 O2 A:B3I2001 3.6 50.1 0.1 CZ A:ARG257 3.7 42.2 1.0 O1 A:B3I2001 3.8 50.1 0.1 O2 A:B3I2001 4.0 50.1 0.6 NH2 A:ARG257 4.1 42.2 1.0 NE A:ARG257 4.1 42.2 1.0 C4 A:B3I2001 4.3 50.1 0.1 C6 A:B3I2001 4.3 50.1 0.6 C4 A:B3I2001 4.3 50.1 0.6 C2 A:B3I2001 4.4 50.1 0.1 CD A:ARG257 4.4 42.2 1.0 CG A:ARG257 4.5 42.2 1.0 NE2 A:HIS242 4.6 69.7 1.0 CB A:ALA291 4.6 24.6 1.0 CD2 A:LEU238 4.8 69.9 1.0 C5 A:B3I2001 4.8 50.1 0.6 C3 A:B3I2001 4.8 50.1 0.1 CG1 A:VAL241 5.0 13.4 1.0

Iodine binding site 2 out of 12 in the Human Serum Albumin in A Complex with Myristic Acid and Tri- Iodobenzoic 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 in A Complex with Myristic Acid and Tri- Iodobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:50.1 occ:0.12 I1 A:B3I2001 0.0 50.1 0.1 C2 A:B3I2001 2.0 50.1 0.1 C6 A:B3I2001 2.1 50.1 0.6 C3 A:B3I2001 3.0 50.1 0.1 C5 A:B3I2001 3.0 50.1 0.6 C1 A:B3I2001 3.0 50.1 0.1 C1 A:B3I2001 3.1 50.1 0.6 C A:B3I2001 3.3 50.1 0.1 O2 A:B3I2001 3.3 50.1 0.6 C A:B3I2001 3.3 50.1 0.6 I3 A:B3I2001 3.3 50.1 0.6 I2 A:B3I2001 3.4 50.1 0.1 O1 A:B3I2001 3.5 50.1 0.1 O2 A:B3I2001 3.9 50.1 0.1 O1 A:B3I2001 4.1 50.1 0.6 CD2 A:LEU219 4.2 34.9 1.0 C4 A:B3I2001 4.3 50.1 0.6 C4 A:B3I2001 4.3 50.1 0.1 C6 A:B3I2001 4.4 50.1 0.1 C2 A:B3I2001 4.4 50.1 0.6 O A:ALA291 4.6 24.6 1.0 CA A:ALA291 4.6 24.6 1.0 C5 A:B3I2001 4.9 50.1 0.1 C3 A:B3I2001 4.9 50.1 0.6 CD1 A:LEU238 4.9 69.9 1.0 CG A:LEU219 5.0 34.9 1.0

Iodine binding site 3 out of 12 in the Human Serum Albumin in A Complex with Myristic Acid and Tri- Iodobenzoic 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 in A Complex with Myristic Acid and Tri- Iodobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:50.1 occ:0.62 I2 A:B3I2001 0.0 50.1 0.6 I3 A:B3I2001 0.5 50.1 0.1 C3 A:B3I2001 2.1 50.1 0.6 C5 A:B3I2001 2.1 50.1 0.1 C4 A:B3I2001 3.0 50.1 0.1 C4 A:B3I2001 3.0 50.1 0.6 C2 A:B3I2001 3.1 50.1 0.6 C6 A:B3I2001 3.2 50.1 0.1 I1 A:B3I2001 3.5 50.1 0.6 O A:ARG257 3.7 37.7 1.0 CD2 A:LEU260 4.2 31.2 1.0 CB A:SER287 4.2 48.4 1.0 CG A:LEU260 4.3 31.2 1.0 C5 A:B3I2001 4.3 50.1 0.6 C3 A:B3I2001 4.3 50.1 0.1 C1 A:B3I2001 4.4 50.1 0.6 CA A:ARG257 4.5 37.7 1.0 C1 A:B3I2001 4.5 50.1 0.1 CA A:SER287 4.5 48.4 1.0 C A:ARG257 4.5 37.7 1.0 N A:ALA261 4.5 46.6 1.0 CB A:LEU260 4.6 36.6 1.0 CB A:ARG257 4.6 37.7 1.0 CB A:ALA261 4.6 46.6 1.0 CA A:ALA261 4.7 46.6 1.0 C A:LEU260 4.8 36.6 1.0 CG A:ARG257 4.8 42.2 1.0 OG A:SER287 4.9 82.7 1.0 C6 A:B3I2001 4.9 50.1 0.6 C2 A:B3I2001 4.9 50.1 0.1 O A:SER287 5.0 48.4 1.0

Iodine binding site 4 out of 12 in the Human Serum Albumin in A Complex with Myristic Acid and Tri- Iodobenzoic 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 in A Complex with Myristic Acid and Tri- Iodobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:50.1 occ:0.12 I2 A:B3I2001 0.0 50.1 0.1 I3 A:B3I2001 0.3 50.1 0.6 C3 A:B3I2001 2.0 50.1 0.1 C5 A:B3I2001 2.1 50.1 0.6 C4 A:B3I2001 3.0 50.1 0.6 C2 A:B3I2001 3.0 50.1 0.1 C4 A:B3I2001 3.0 50.1 0.1 C6 A:B3I2001 3.0 50.1 0.6 I1 A:B3I2001 3.4 50.1 0.1 CD2 A:LEU219 3.5 34.9 1.0 CZ A:PHE223 3.7 32.2 1.0 CE2 A:PHE223 3.7 32.2 1.0 CD1 A:ILE264 3.8 31.8 1.0 CG2 A:ILE290 4.3 53.6 1.0 C3 A:B3I2001 4.3 50.1 0.6 C5 A:B3I2001 4.3 50.1 0.1 C1 A:B3I2001 4.4 50.1 0.6 C1 A:B3I2001 4.4 50.1 0.1 CG A:LEU219 4.8 34.9 1.0 C2 A:B3I2001 4.9 50.1 0.6 C6 A:B3I2001 4.9 50.1 0.1 CE1 A:PHE223 5.0 32.2 1.0

Iodine binding site 5 out of 12 in the Human Serum Albumin in A Complex with Myristic Acid and Tri- Iodobenzoic 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 in A Complex with Myristic Acid and Tri- Iodobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:50.1 occ:0.62 I3 A:B3I2001 0.0 50.1 0.6 I2 A:B3I2001 0.3 50.1 0.1 C3 A:B3I2001 2.0 50.1 0.1 C5 A:B3I2001 2.0 50.1 0.6 C2 A:B3I2001 2.9 50.1 0.1 C6 A:B3I2001 2.9 50.1 0.6 C4 A:B3I2001 3.0 50.1 0.6 C4 A:B3I2001 3.0 50.1 0.1 I1 A:B3I2001 3.3 50.1 0.1 CD2 A:LEU219 3.3 34.9 1.0 CE2 A:PHE223 3.8 32.2 1.0 CZ A:PHE223 3.9 32.2 1.0 CD1 A:ILE264 3.9 31.8 1.0 C1 A:B3I2001 4.3 50.1 0.6 C1 A:B3I2001 4.3 50.1 0.1 C3 A:B3I2001 4.3 50.1 0.6 C5 A:B3I2001 4.3 50.1 0.1 CG2 A:ILE290 4.5 53.6 1.0 CG A:LEU219 4.6 34.9 1.0 C2 A:B3I2001 4.8 50.1 0.6 C6 A:B3I2001 4.8 50.1 0.1 CD1 A:LEU219 4.9 34.9 1.0

Iodine binding site 6 out of 12 in the Human Serum Albumin in A Complex with Myristic Acid and Tri- Iodobenzoic 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 in A Complex with Myristic Acid and Tri- Iodobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2001 b:50.1 occ:0.12 I3 A:B3I2001 0.0 50.1 0.1 I2 A:B3I2001 0.5 50.1 0.6 C3 A:B3I2001 2.1 50.1 0.6 C5 A:B3I2001 2.1 50.1 0.1 C2 A:B3I2001 3.0 50.1 0.6 C4 A:B3I2001 3.0 50.1 0.1 C6 A:B3I2001 3.1 50.1 0.1 C4 A:B3I2001 3.1 50.1 0.6 I1 A:B3I2001 3.4 50.1 0.6 O A:ARG257 3.7 37.7 1.0 CD2 A:LEU260 3.9 31.2 1.0 CG A:LEU260 4.2 31.2 1.0 CA A:ARG257 4.3 37.7 1.0 C1 A:B3I2001 4.3 50.1 0.6 C5 A:B3I2001 4.3 50.1 0.6 C3 A:B3I2001 4.4 50.1 0.1 CB A:LEU260 4.4 36.6 1.0 C1 A:B3I2001 4.4 50.1 0.1 CB A:ARG257 4.4 37.7 1.0 C A:ARG257 4.5 37.7 1.0 CB A:SER287 4.5 48.4 1.0 CG A:ARG257 4.6 42.2 1.0 N A:ALA261 4.7 46.6 1.0 C A:LEU260 4.8 36.6 1.0 C6 A:B3I2001 4.9 50.1 0.6 CA A:SER287 4.9 48.4 1.0 CB A:ALA261 4.9 46.6 1.0 C2 A:B3I2001 4.9 50.1 0.1 CA A:ALA261 4.9 46.6 1.0 NE A:ARG257 5.0 42.2 1.0

Iodine binding site 7 out of 12 in the Human Serum Albumin in A Complex with Myristic Acid and Tri- Iodobenzoic 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 in A Complex with Myristic Acid and Tri- Iodobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2002 b:50.1 occ:0.19 I1 A:B3I2002 0.0 50.1 0.2 C6 A:B3I2002 0.4 50.1 0.3 C5 A:B3I2002 1.4 50.1 0.3 C1 A:B3I2002 1.7 50.1 0.3 C2 A:B3I2002 2.0 50.1 0.2 C4 A:B3I2002 2.5 50.1 0.3 C A:B3I2002 2.6 50.1 0.3 C2 A:B3I2002 2.7 50.1 0.3 I3 A:B3I2002 2.8 50.1 0.3 C3 A:B3I2002 3.0 50.1 0.2 C3 A:B3I2002 3.0 50.1 0.3 O2 A:B3I2002 3.0 50.1 0.3 C1 A:B3I2002 3.0 50.1 0.2 O1 A:B3I2002 3.2 50.1 0.2 C A:B3I2002 3.2 50.1 0.2 O A:GLY189 3.3 38.4 1.0 I2 A:B3I2002 3.5 50.1 0.2 CB A:SER193 3.6 40.2 1.0 C A:GLY189 3.7 38.4 1.0 O1 A:B3I2002 3.7 50.1 0.3 CE1 A:HIS146 3.8 50.8 1.0 NE2 A:HIS146 3.8 50.8 1.0 N A:LYS190 4.1 64.2 1.0 ND1 A:HIS146 4.1 50.8 1.0 CA A:LYS190 4.1 64.2 1.0 CD2 A:HIS146 4.1 50.8 1.0 O2 A:B3I2002 4.1 50.1 0.2 OG A:SER193 4.2 48.4 1.0 CG A:HIS146 4.3 50.8 1.0 C4 A:B3I2002 4.3 50.1 0.2 C6 A:B3I2002 4.4 50.1 0.2 CA A:GLY189 4.5 38.4 1.0 I1 A:B3I2002 4.6 50.1 0.3 CG A:LYS190 4.9 50.6 1.0 C5 A:B3I2002 4.9 50.1 0.2 CA A:SER193 4.9 40.2 1.0

Iodine binding site 8 out of 12 in the Human Serum Albumin in A Complex with Myristic Acid and Tri- Iodobenzoic 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 in A Complex with Myristic Acid and Tri- Iodobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2002 b:50.1 occ:0.31 I1 A:B3I2002 0.0 50.1 0.3 C6 A:B3I2002 1.1 50.1 0.2 C1 A:B3I2002 1.7 50.1 0.2 C2 A:B3I2002 2.0 50.1 0.3 C A:B3I2002 2.1 50.1 0.2 C5 A:B3I2002 2.4 50.1 0.2 O2 A:B3I2002 2.7 50.1 0.2 O1 A:B3I2002 2.9 50.1 0.2 C2 A:B3I2002 3.0 50.1 0.2 C3 A:B3I2002 3.0 50.1 0.3 C1 A:B3I2002 3.0 50.1 0.3 O1 A:B3I2002 3.2 50.1 0.3 C A:B3I2002 3.2 50.1 0.3 C4 A:B3I2002 3.4 50.1 0.2 I2 A:B3I2002 3.4 50.1 0.3 C3 A:B3I2002 3.6 50.1 0.2 I3 A:B3I2002 3.7 50.1 0.2 CG A:ARG186 3.8 0.1 1.0 CG A:LYS190 3.9 50.6 1.0 O2 A:B3I2002 4.1 50.1 0.3 C4 A:B3I2002 4.3 50.1 0.3 C6 A:B3I2002 4.4 50.1 0.3 CD A:LYS190 4.4 50.6 1.0 O A:ARG186 4.5 56.2 1.0 I1 A:B3I2002 4.6 50.1 0.2 CA A:ARG186 4.7 56.2 1.0 CB A:ARG186 4.7 56.2 1.0 CD A:ARG186 4.8 0.1 1.0 C5 A:B3I2002 4.9 50.1 0.3 C A:ARG186 5.0 56.2 1.0

Iodine binding site 9 out of 12 in the Human Serum Albumin in A Complex with Myristic Acid and Tri- Iodobenzoic 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 in A Complex with Myristic Acid and Tri- Iodobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2002 b:50.1 occ:0.19 I2 A:B3I2002 0.0 50.1 0.2 C4 A:B3I2002 1.4 50.1 0.3 C3 A:B3I2002 2.0 50.1 0.2 C5 A:B3I2002 2.2 50.1 0.3 C3 A:B3I2002 2.6 50.1 0.3 I3 A:B3I2002 2.8 50.1 0.3 C4 A:B3I2002 3.0 50.1 0.2 C2 A:B3I2002 3.0 50.1 0.2 I1 A:B3I2002 3.5 50.1 0.2 CA A:GLY189 3.5 38.4 1.0 C6 A:B3I2002 3.5 50.1 0.3 I2 A:B3I2002 3.6 50.1 0.3 C2 A:B3I2002 3.8 50.1 0.3 C A:GLY189 4.0 38.4 1.0 O A:GLY189 4.0 38.4 1.0 CD1 A:LEU154 4.1 45.8 1.0 C1 A:B3I2002 4.2 50.1 0.3 CD2 A:PHE157 4.2 38.8 1.0 C5 A:B3I2002 4.3 50.1 0.2 C1 A:B3I2002 4.4 50.1 0.2 CG A:PHE157 4.4 38.8 1.0 CE2 A:PHE157 4.4 38.8 1.0 CG2 A:ILE142 4.5 29.1 1.0 CE2 A:PHE149 4.5 53.0 1.0 CZ A:PHE149 4.7 53.0 1.0 N A:GLY189 4.7 38.4 1.0 CB A:PHE157 4.8 33.6 1.0 CD1 A:PHE157 4.9 38.8 1.0 C6 A:B3I2002 4.9 50.1 0.2 N A:LYS190 4.9 64.2 1.0 CZ A:PHE157 4.9 38.8 1.0

Iodine binding site 10 out of 12 in the Human Serum Albumin in A Complex with Myristic Acid and Tri- Iodobenzoic 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 in A Complex with Myristic Acid and Tri- Iodobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I2002 b:50.1 occ:0.31 I2 A:B3I2002 0.0 50.1 0.3 C4 A:B3I2002 0.9 50.1 0.2 C5 A:B3I2002 1.3 50.1 0.2 C3 A:B3I2002 2.1 50.1 0.3 C3 A:B3I2002 2.2 50.1 0.2 I3 A:B3I2002 2.4 50.1 0.2 C6 A:B3I2002 2.6 50.1 0.2 C2 A:B3I2002 3.0 50.1 0.3 C4 A:B3I2002 3.0 50.1 0.3 C2 A:B3I2002 3.1 50.1 0.2 C1 A:B3I2002 3.3 50.1 0.2 OH A:TYR161 3.4 34.7 1.0 I1 A:B3I2002 3.4 50.1 0.3 I2 A:B3I2002 3.6 50.1 0.2 CA A:ARG186 4.2 56.2 1.0 CE2 A:TYR161 4.2 34.7 1.0 CZ A:TYR161 4.3 34.7 1.0 C5 A:B3I2002 4.4 50.1 0.3 C1 A:B3I2002 4.4 50.1 0.3 O A:ARG186 4.6 56.2 1.0 C A:B3I2002 4.7 50.1 0.2 N A:ARG186 4.8 56.2 1.0 O A:LEU185 4.8 43.2 1.0 C6 A:B3I2002 4.9 50.1 0.3 C A:ARG186 4.9 56.2 1.0 CB A:ARG186 4.9 56.2 1.0 CA A:GLY189 5.0 38.4 1.0

S.Curry, H.Mandelkow, P.Brick, N.Franks. Crystal Structure of Human Serum Albumin Complexed with Fatty Acid Reveals An Asymmetric Distribution of Binding Sites. Nat.Struct.Biol. V. 5 827 1998.
ISSN: ISSN 1072-8368
PubMed: 9731778
DOI: 10.1038/1869