Iodine in PDB 9ik6: Human Serum Albumin Crystallized with T4, pH 6.5

The structure of Human Serum Albumin Crystallized with T4, pH 6.5, PDB code: 9ik6 was solved by W.Xiang, Z.L.Yue, J.Y.Su, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 1.69
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.965, 88.964, 60.447, 90, 104.11, 90
R / Rfree (%)	19.6 / 23.5

Pages:

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

Binding sites:

The binding sites of Iodine atom in the Human Serum Albumin Crystallized with T4, pH 6.5 (pdb code 9ik6). 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 Crystallized with T4, pH 6.5, PDB code: 9ik6:
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 Crystallized with T4, pH 6.5


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 Crystallized with T4, pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:I601 b:85.5 occ:1.00 I3 A:T44601 0.0 85.5 1.0 C3 A:T44601 2.1 69.4 1.0 C2 A:T44601 3.1 66.5 1.0 C4 A:T44601 3.1 66.0 1.0 O A:LEU387 3.3 41.8 1.0 O4 A:T44601 3.3 61.4 1.0 N A:ASN391 3.5 43.3 1.0 C1' A:T44601 3.6 60.4 1.0 CB A:ASN391 3.8 48.3 1.0 CA A:ASN391 3.8 43.6 1.0 CB A:GLN390 3.8 47.2 1.0 C A:GLN390 3.9 43.8 1.0 C6' A:T44601 4.1 59.5 1.0 C2' A:T44601 4.2 57.9 1.0 C A:LEU387 4.3 38.3 1.0 CD1 A:LEU387 4.3 43.5 1.0 C1 A:T44601 4.4 70.5 1.0 CA A:GLN390 4.4 45.1 1.0 C5 A:T44601 4.4 65.9 1.0 CG A:LEU387 4.5 40.9 1.0 O A:GLN390 4.5 42.8 1.0 OE1 A:GLN390 4.5 64.8 1.0 CA A:LEU387 4.6 35.3 1.0 CG A:ASN391 4.9 53.8 1.0 C6 A:T44601 5.0 65.9 1.0 C5' A:T44601 5.0 62.3 1.0 N A:GLN390 5.0 41.5 1.0

Iodine binding site 2 out of 12 in the Human Serum Albumin Crystallized with T4, pH 6.5


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 Crystallized with T4, pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:I601 b:64.8 occ:1.00 I3' A:T44601 0.0 64.8 1.0 C3' A:T44601 2.1 57.0 1.0 C4' A:T44601 3.0 56.4 1.0 O4' A:T44601 3.1 44.4 1.0 C2' A:T44601 3.1 57.9 1.0 O A:HOH718 3.8 35.6 1.0 OH A:TYR411 3.8 35.6 1.0 CD1 A:LEU453 4.3 27.8 1.0 C5' A:T44601 4.3 62.3 1.0 CD2 A:LEU453 4.4 27.0 1.0 C1' A:T44601 4.4 60.4 1.0 CE1 A:TYR411 4.5 29.7 1.0 CZ A:TYR411 4.5 31.3 1.0 CD2 A:LEU387 4.6 41.9 1.0 OG A:SER489 4.7 31.5 1.0 CG A:LEU453 4.9 25.9 1.0 C6' A:T44601 4.9 59.5 1.0 CD2 A:LEU430 4.9 25.7 1.0

Iodine binding site 3 out of 12 in the Human Serum Albumin Crystallized with T4, pH 6.5


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 Crystallized with T4, pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:I601 b:64.8 occ:1.00 I5 A:T44601 0.0 64.8 1.0 C5 A:T44601 2.1 65.9 1.0 C4 A:T44601 3.1 66.0 1.0 C6 A:T44601 3.1 65.9 1.0 O4 A:T44601 3.2 61.4 1.0 O A:HOH953 3.6 54.5 1.0 CD2 A:LEU407 3.7 31.7 1.0 O A:ALA406 3.7 22.7 1.0 C1' A:T44601 3.8 60.4 1.0 C A:ALA406 3.9 22.0 1.0 C6' A:T44601 4.1 59.5 1.0 CB A:ARG410 4.1 25.9 1.0 CZ A:ARG410 4.1 56.1 1.0 NH2 A:ARG410 4.2 57.5 1.0 CA A:LEU407 4.2 23.0 1.0 CB A:ALA406 4.2 24.6 1.0 N A:LEU407 4.2 19.6 1.0 NE A:ARG410 4.3 48.5 1.0 CG A:ARG410 4.3 35.8 1.0 C1 A:T44601 4.4 70.5 1.0 C3 A:T44601 4.4 69.4 1.0 O A:HOH898 4.5 35.4 1.0 NH1 A:ARG410 4.5 53.1 1.0 CG A:LEU407 4.6 27.6 1.0 CD2 A:LEU394 4.6 44.3 1.0 CA A:ALA406 4.7 27.5 1.0 C2' A:T44601 4.8 57.9 1.0 CD A:ARG410 4.9 42.9 1.0 C2 A:T44601 4.9 66.5 1.0 CB A:LEU407 4.9 23.4 1.0

Iodine binding site 4 out of 12 in the Human Serum Albumin Crystallized with T4, pH 6.5


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 Crystallized with T4, pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:I601 b:85.1 occ:1.00 I5' A:T44601 0.0 85.1 1.0 C5' A:T44601 2.1 62.3 1.0 C4' A:T44601 3.1 56.4 1.0 C6' A:T44601 3.1 59.5 1.0 O4' A:T44601 3.3 44.4 1.0 O A:SER489 3.6 30.5 1.0 NZ A:LYS414 3.8 31.2 1.0 NH1 A:ARG410 4.0 53.1 1.0 CE A:LYS414 4.1 28.2 1.0 CA A:SER489 4.2 28.6 1.0 C A:SER489 4.4 30.7 1.0 C3' A:T44601 4.4 57.0 1.0 C1' A:T44601 4.4 60.4 1.0 CB A:SER489 4.4 30.5 1.0 CG A:ARG410 4.7 35.8 1.0 OG A:SER489 4.7 31.5 1.0 CD A:ARG410 4.8 42.9 1.0 C2' A:T44601 4.9 57.9 1.0

Iodine binding site 5 out of 12 in the Human Serum Albumin Crystallized with T4, pH 6.5


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 Crystallized with T4, pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:I602 b:35.5 occ:1.00 I3 A:T44602 0.0 35.5 1.0 C3 A:T44602 2.1 27.5 1.0 C4 A:T44602 3.0 35.0 1.0 C2 A:T44602 3.0 32.8 1.0 O4 A:T44602 3.1 32.8 1.0 O A:LYS524 3.4 18.6 1.0 C1' A:T44602 3.5 25.9 1.0 C2' A:T44602 4.0 24.9 1.0 CD A:LYS524 4.1 34.8 1.0 C A:LYS524 4.1 15.7 1.0 CG2 A:THR527 4.2 18.6 1.0 C6' A:T44602 4.2 28.8 1.0 CA A:LYS524 4.2 21.5 1.0 CB A:LYS524 4.2 20.9 1.0 N A:ALA528 4.3 14.6 1.0 C5 A:T44602 4.3 29.2 1.0 CB A:THR527 4.3 19.5 1.0 C1 A:T44602 4.3 34.4 1.0 CB A:ALA528 4.4 22.5 1.0 O A:HOH1040 4.5 36.1 1.0 O A:HOH900 4.5 48.3 1.0 CE1 A:PHE507 4.6 32.8 1.0 O A:THR506 4.6 35.8 1.0 CD1 A:PHE507 4.6 35.1 1.0 CG2 A:THR506 4.7 41.2 1.0 CA A:ALA528 4.8 17.6 1.0 CG A:LYS524 4.8 27.8 1.0 C6 A:T44602 4.8 34.5 1.0 C3' A:T44602 5.0 31.2 1.0

Iodine binding site 6 out of 12 in the Human Serum Albumin Crystallized with T4, pH 6.5


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 Crystallized with T4, pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:I602 b:46.1 occ:1.00 I3' A:T44602 0.0 46.1 1.0 C3' A:T44602 2.2 31.2 1.0 C4' A:T44602 3.1 24.8 1.0 O4' A:T44602 3.2 25.9 1.0 C2' A:T44602 3.2 24.9 1.0 CD1 A:LEU516 3.7 31.3 1.0 CB A:LYS524 4.1 20.9 1.0 CG1 A:VAL555 4.2 26.3 1.0 C1' A:T44602 4.5 25.9 1.0 C5' A:T44602 4.5 29.1 1.0 CG A:LYS524 4.5 27.8 1.0 O A:ILE513 4.6 33.6 1.0 CG A:ARG521 4.9 28.2 1.0 CB A:ILE513 5.0 40.4 1.0 C6' A:T44602 5.0 28.8 1.0

Iodine binding site 7 out of 12 in the Human Serum Albumin Crystallized with T4, pH 6.5


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 Crystallized with T4, pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:I602 b:34.1 occ:1.00 I5 A:T44602 0.0 34.1 1.0 C5 A:T44602 2.1 29.2 1.0 C6 A:T44602 3.0 34.5 1.0 C4 A:T44602 3.2 35.0 1.0 O4 A:T44602 3.5 32.8 1.0 O A:PHE507 3.7 35.9 1.0 O A:HOH729 4.0 43.1 1.0 CD1 A:ILE513 4.0 37.6 1.0 C1' A:T44602 4.0 25.9 1.0 CE1 A:PHE568 4.0 32.5 1.0 C2' A:T44602 4.1 24.9 1.0 CG2 A:VAL555 4.2 26.3 1.0 CE1 A:PHE551 4.2 32.2 1.0 CD1 A:PHE568 4.3 35.0 1.0 C1 A:T44602 4.3 34.4 1.0 C3 A:T44602 4.4 27.5 1.0 C A:PHE507 4.4 35.5 1.0 CB A:PHE507 4.4 34.9 1.0 CA A:PHE507 4.5 34.0 1.0 CZ A:PHE551 4.6 33.3 1.0 CE2 A:PHE554 4.8 36.9 1.0 C2 A:T44602 4.9 32.8 1.0 CD1 A:PHE507 4.9 35.1 1.0 C6' A:T44602 4.9 28.8 1.0

Iodine binding site 8 out of 12 in the Human Serum Albumin Crystallized with T4, pH 6.5


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 Crystallized with T4, pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:I602 b:28.0 occ:1.00 I5' A:T44602 0.0 28.0 1.0 C5' A:T44602 2.2 29.1 1.0 C6' A:T44602 3.1 28.8 1.0 C4' A:T44602 3.2 24.8 1.0 O4' A:T44602 3.4 25.9 1.0 CD1 A:PHE551 4.0 26.2 1.0 O A:MET548 4.0 23.2 1.0 N A:ALA552 4.1 22.1 1.0 CE A:MET548 4.2 28.1 1.0 CB A:ALA528 4.2 22.5 1.0 SD A:MET548 4.2 24.0 1.0 CE A:LYS525 4.2 36.0 1.0 CB A:PHE551 4.3 27.3 1.0 CA A:ALA552 4.3 24.8 1.0 CB A:ALA552 4.3 28.3 1.0 C1' A:T44602 4.4 25.9 1.0 CG A:LYS525 4.5 29.0 1.0 C A:PHE551 4.5 26.2 1.0 C3' A:T44602 4.5 31.2 1.0 CG A:PHE551 4.6 27.7 1.0 I3' A:T44603 4.6 25.5 1.0 CA A:LYS525 4.8 17.0 1.0 CB A:LYS525 4.9 25.9 1.0 CE1 A:PHE551 4.9 32.2 1.0 C A:MET548 5.0 25.1 1.0 CD A:LYS525 5.0 29.8 1.0

Iodine binding site 9 out of 12 in the Human Serum Albumin Crystallized with T4, pH 6.5


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 Crystallized with T4, pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:I603 b:53.2 occ:1.00 I3 A:T44603 0.0 53.2 1.0 C3 A:T44603 2.1 48.5 1.0 C2 A:T44603 3.1 48.6 1.0 C4 A:T44603 3.1 44.6 1.0 O4 A:T44603 3.2 40.3 1.0 C1' A:T44603 3.8 37.8 1.0 C6' A:T44603 4.1 35.3 1.0 CE A:LYS536 4.2 49.8 1.0 CD1 A:LEU532 4.3 26.9 1.0 NZ A:LYS536 4.3 53.6 1.0 CD2 A:HIS535 4.3 36.8 1.0 C1 A:T44603 4.4 49.0 1.0 C5 A:T44603 4.4 50.4 1.0 CG1 A:VAL547 4.6 27.6 1.0 NE2 A:HIS535 4.6 36.3 1.0 O A:HOH886 4.6 46.4 1.0 C2' A:T44603 4.7 35.5 1.0 CG A:LYS536 4.7 36.4 1.0 C6 A:T44603 4.9 48.2 1.0 CG2 A:VAL547 5.0 30.4 1.0

Iodine binding site 10 out of 12 in the Human Serum Albumin Crystallized with T4, pH 6.5


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 Crystallized with T4, pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:I603 b:25.5 occ:1.00 I3' A:T44603 0.0 25.5 1.0 C3' A:T44603 2.1 24.8 1.0 C2' A:T44603 3.0 35.5 1.0 C4' A:T44603 3.1 26.6 1.0 O4' A:T44603 3.3 28.1 1.0 SD A:MET548 3.7 24.0 1.0 O A:ALA528 4.0 20.2 1.0 CB A:ALA528 4.0 22.5 1.0 CB A:PHE551 4.3 27.3 1.0 C1' A:T44603 4.4 37.8 1.0 C5' A:T44603 4.4 30.6 1.0 CG A:PHE551 4.4 27.7 1.0 CD2 A:LEU532 4.5 27.0 1.0 C A:ALA528 4.5 22.5 1.0 CB A:LEU532 4.5 24.3 1.0 CG A:MET548 4.5 29.9 1.0 CG1 A:VAL547 4.5 27.6 1.0 CA A:MET548 4.6 25.4 1.0 I5' A:T44602 4.6 28.0 1.0 CD2 A:PHE551 4.7 35.0 1.0 CA A:ALA528 4.8 17.6 1.0 CG A:LEU532 4.9 21.2 1.0 C6' A:T44603 4.9 35.3 1.0 O A:VAL547 4.9 26.3 1.0 CD1 A:PHE551 4.9 26.2 1.0 N A:MET548 5.0 22.2 1.0

W.Xiang, Z.L.Yue, J.Y.Su. Human Serum Albumin Crystallized with T4, pH 6.5 To Be Published.