Atomistry » Iodine » PDB 5nje-5say » 5osw
Atomistry »
  Iodine »
    PDB 5nje-5say »
      5osw »

Iodine in PDB 5osw: Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid

Protein crystallography data

The structure of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid, PDB code: 5osw was solved by J.A.Talaj, A.Bujacz, G.Bujacz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.01 / 1.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.420, 66.060, 213.590, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 24.1

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Iodine atom in the Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid (pdb code 5osw). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 14 binding sites of Iodine where determined in the Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid, PDB code: 5osw:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 14 in 5osw

Go back to Iodine Binding Sites List in 5osw
Iodine binding site 1 out of 14 in the Structure of Caprine Serum Albumin in Complex with 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 Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I601

b:51.7
occ:1.00
I1 A:DIU601 0.0 51.7 1.0
C3 A:DIU601 2.1 35.1 1.0
NZ A:LYS221 2.8 37.9 1.0
CD2 A:LEU218 2.9 25.6 1.0
C4 A:DIU601 3.0 28.3 1.0
C2 A:DIU601 3.1 37.0 1.0
O3 A:DIU601 3.3 46.7 1.0
CE A:LYS221 3.9 38.0 1.0
CG A:LEU218 4.0 21.2 1.0
CE2 A:PHE222 4.1 29.8 1.0
CG2 A:ILE289 4.2 19.9 1.0
CD1 A:LEU218 4.3 24.2 1.0
C5 A:DIU601 4.3 33.1 1.0
CZ A:PHE222 4.4 27.4 1.0
O A:ILE289 4.4 23.1 1.0
C1 A:DIU601 4.4 34.2 1.0
CD A:LYS221 4.5 33.7 1.0
CD1 A:ILE263 4.5 20.2 1.0
NH1 A:ARG217 4.5 50.7 1.0
CD2 A:LEU237 4.7 24.0 1.0
C A:ILE289 4.9 21.1 1.0
C6 A:DIU601 4.9 31.9 1.0
CA A:ALA290 4.9 22.4 1.0
CG2 A:ILE233 5.0 25.6 1.0

Iodine binding site 2 out of 14 in 5osw

Go back to Iodine Binding Sites List in 5osw
Iodine binding site 2 out of 14 in the Structure of Caprine Serum Albumin in Complex with 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 Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I601

b:36.1
occ:1.00
I2 A:DIU601 0.0 36.1 1.0
C5 A:DIU601 2.1 33.1 1.0
C6 A:DIU601 3.0 31.9 1.0
C4 A:DIU601 3.0 28.3 1.0
CA A:ALA260 3.8 20.7 1.0
N A:ALA260 3.8 23.1 1.0
CB A:ALA260 3.8 18.6 1.0
O A:ARG256 3.8 24.8 1.0
CG A:LEU259 4.0 23.8 1.0
CD2 A:LEU259 4.1 26.3 1.0
CG A:ARG256 4.2 23.0 1.0
CB A:LEU259 4.2 22.9 1.0
C A:LEU259 4.2 22.2 1.0
C3 A:DIU601 4.3 35.1 1.0
C1 A:DIU601 4.3 34.2 1.0
CD1 A:ILE289 4.4 19.7 1.0
CA A:SER286 4.5 21.7 1.0
OG A:SER286 4.5 23.0 1.0
CB A:SER286 4.5 21.7 1.0
CD1 A:ILE263 4.5 20.2 1.0
CG2 A:ILE289 4.5 19.9 1.0
O A:LEU259 4.6 20.7 1.0
CB A:ILE289 4.6 18.2 1.0
O A:SER286 4.7 20.0 1.0
C A:ARG256 4.7 22.2 1.0
C2 A:DIU601 4.9 37.0 1.0
CA A:LEU259 4.9 22.4 1.0
NE A:ARG256 5.0 23.5 1.0

Iodine binding site 3 out of 14 in 5osw

Go back to Iodine Binding Sites List in 5osw
Iodine binding site 3 out of 14 in the Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I602

b:46.7
occ:1.00
I1 A:DIU602 0.0 46.7 1.0
C3 A:DIU602 2.2 43.6 1.0
C2 A:DIU602 3.1 45.1 1.0
C4 A:DIU602 3.2 40.2 1.0
O3 A:DIU602 3.2 42.0 1.0
O A:ASP450 3.3 22.0 1.0
CH2 A:TRP213 3.5 42.6 1.0
CD2 A:LEU454 3.8 22.2 1.0
CZ2 A:TRP213 3.8 40.3 1.0
CA A:ASP450 3.9 23.0 1.0
CB A:SER453 3.9 23.4 1.0
CD2 A:LEU197 4.0 24.5 1.0
C A:ASP450 4.0 21.4 1.0
CB A:ASP450 4.2 23.1 1.0
CG A:LEU454 4.2 21.7 1.0
O A:HOH1137 4.2 39.7 1.0
OD1 A:ASP450 4.3 25.9 1.0
CZ3 A:TRP213 4.3 41.6 1.0
CG A:ASP450 4.4 26.4 1.0
C1 A:DIU602 4.5 50.2 1.0
OG A:SER453 4.5 27.2 1.0
C5 A:DIU602 4.6 41.8 1.0
N A:LEU454 4.8 20.3 1.0
CE2 A:TRP213 4.8 35.7 1.0

Iodine binding site 4 out of 14 in 5osw

Go back to Iodine Binding Sites List in 5osw
Iodine binding site 4 out of 14 in the Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I602

b:42.8
occ:1.00
I2 A:DIU602 0.0 42.8 1.0
C5 A:DIU602 2.2 41.8 1.0
C6 A:DIU602 3.2 51.4 1.0
C4 A:DIU602 3.2 40.2 1.0
C16 A:JEF608 3.7 54.2 1.0
CD1 A:LEU210 3.9 25.9 1.0
OG A:SER201 3.9 34.3 1.0
CB A:TRP213 4.0 23.6 1.0
CB A:SER201 4.0 28.3 1.0
CG A:TRP213 4.1 30.1 1.0
CG A:LEU197 4.3 21.1 1.0
CD2 A:TRP213 4.3 29.9 1.0
C14 A:JEF608 4.3 37.5 1.0
N1 A:JEF608 4.3 55.2 1.0
CE3 A:TRP213 4.4 34.1 1.0
C1 A:DIU602 4.5 50.2 1.0
CD2 A:LEU480 4.5 31.4 1.0
O A:LEU197 4.5 20.3 1.0
O6 A:JEF608 4.6 46.5 1.0
C30 A:JEF608 4.6 50.9 1.0
C3 A:DIU602 4.6 43.6 1.0
CA A:ARG198 4.6 22.4 1.0
CD1 A:LEU197 4.6 19.8 1.0
CD2 A:LEU197 4.6 24.5 1.0
CA A:LEU210 4.7 26.0 1.0
CD1 A:TRP213 4.8 36.9 1.0
N A:ARG198 4.9 22.7 1.0
C A:LEU197 4.9 20.6 1.0

Iodine binding site 5 out of 14 in 5osw

Go back to Iodine Binding Sites List in 5osw
Iodine binding site 5 out of 14 in the Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I603

b:38.6
occ:1.00
I1 A:DIU603 0.0 38.6 1.0
C3 A:DIU603 2.1 41.2 1.0
C4 A:DIU603 3.0 34.8 1.0
C2 A:DIU603 3.1 42.1 1.0
O3 A:DIU603 3.2 42.7 1.0
CB A:ASN390 3.8 24.1 1.0
CG1 A:VAL432 4.1 23.0 1.0
SG A:CYS391 4.1 24.8 1.0
O A:HOH1069 4.3 29.6 1.0
CG2 A:THR448 4.3 22.8 1.0
C5 A:DIU603 4.4 33.6 1.0
CA A:ILE387 4.4 21.8 1.0
C1 A:DIU603 4.5 33.5 1.0
O A:ILE387 4.5 21.5 1.0
N A:CYS391 4.5 22.9 1.0
SG A:CYS437 4.5 24.9 1.0
C A:ASN390 4.7 21.3 1.0
CB A:THR448 4.7 23.7 1.0
CG2 A:VAL432 4.7 19.9 1.0
CA A:ASN390 4.8 22.2 1.0
CG A:ASN390 4.8 25.8 1.0
CG1 A:ILE387 4.8 20.4 1.0
CZ A:PHE402 4.9 28.6 1.0
O A:LEU386 5.0 22.8 1.0
C6 A:DIU603 5.0 35.2 1.0
C A:ILE387 5.0 22.2 1.0

Iodine binding site 6 out of 14 in 5osw

Go back to Iodine Binding Sites List in 5osw
Iodine binding site 6 out of 14 in the Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I603

b:35.4
occ:1.00
I2 A:DIU603 0.0 35.4 1.0
C5 A:DIU603 2.1 33.6 1.0
C4 A:DIU603 3.0 34.8 1.0
C6 A:DIU603 3.1 35.2 1.0
NE A:ARG484 3.6 21.0 1.0
CZ A:ARG484 3.7 20.6 1.0
CD A:GLU449 3.8 24.3 1.0
OE1 A:GLU449 3.8 24.9 1.0
NH2 A:ARG484 3.8 19.4 1.0
CB A:PRO383 4.1 22.3 1.0
CG1 A:ILE387 4.2 20.4 1.0
CG A:GLU449 4.2 22.4 1.0
CD A:ARG484 4.2 19.3 1.0
OG1 A:THR448 4.2 25.4 1.0
OE2 A:GLU449 4.3 23.3 1.0
O A:PRO383 4.3 21.8 1.0
C3 A:DIU603 4.3 41.2 1.0
C1 A:DIU603 4.4 33.5 1.0
NH1 A:ARG484 4.4 20.5 1.0
CD2 A:LEU386 4.4 34.9 1.0
CD1 A:LEU452 4.4 21.5 1.0
CA A:PRO383 4.4 22.8 1.0
CB A:LEU386 4.4 28.5 1.0
CD1 A:ILE387 4.4 22.6 1.0
C A:PRO383 4.8 22.7 1.0
CG A:LEU386 4.8 35.0 1.0
CB A:THR448 4.8 23.7 1.0
C2 A:DIU603 4.9 42.1 1.0
N A:ILE387 4.9 21.9 1.0

Iodine binding site 7 out of 14 in 5osw

Go back to Iodine Binding Sites List in 5osw
Iodine binding site 7 out of 14 in the Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I604

b:52.8
occ:0.60
I1 A:DIU604 0.0 52.8 0.6
I2 A:DIU604 1.7 44.8 0.4
C3 A:DIU604 2.1 63.4 0.6
C4 A:DIU604 3.0 76.3 0.6
C2 A:DIU604 3.1 67.9 0.6
SD A:MET184 3.2 46.5 1.0
O3 A:DIU604 3.3 68.4 0.6
CG A:MET184 3.5 40.3 1.0
C5 A:DIU604 3.5 52.8 0.4
CD1 A:TYR160 3.6 44.0 1.0
CB A:MET184 3.6 41.8 1.0
OH A:TYR137 3.8 34.5 1.0
CE1 A:TYR160 3.9 49.2 1.0
C4 A:DIU604 4.0 54.8 0.4
CE1 A:TYR137 4.1 42.8 1.0
O A:ILE181 4.2 52.3 1.0
N A:ARG185 4.2 33.3 1.0
CZ A:TYR137 4.3 36.4 1.0
CD1 A:ILE181 4.3 52.6 1.0
C A:MET184 4.3 36.7 1.0
C5 A:DIU604 4.4 76.1 0.6
C1 A:DIU604 4.5 71.6 0.6
CE A:MET184 4.6 44.1 1.0
CG2 A:VAL188 4.6 24.9 1.0
C6 A:DIU604 4.6 40.3 0.4
CA A:MET184 4.6 37.3 1.0
CG A:TYR160 4.6 38.6 1.0
CA A:ARG185 4.7 39.6 1.0
CG2 A:ILE181 4.8 54.8 1.0
O A:MET184 4.9 38.5 1.0
CA A:ILE181 4.9 51.5 1.0
C6 A:DIU604 4.9 73.8 0.6
CB A:TYR160 5.0 34.5 1.0

Iodine binding site 8 out of 14 in 5osw

Go back to Iodine Binding Sites List in 5osw
Iodine binding site 8 out of 14 in the Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I604

b:53.8
occ:0.40
I1 A:DIU604 0.0 53.8 0.4
C3 A:DIU604 2.1 56.1 0.4
C4 A:DIU604 3.0 54.8 0.4
C2 A:DIU604 3.1 50.1 0.4
O A:HOH1102 3.2 43.5 1.0
O3 A:DIU604 3.3 35.4 0.4
C6 A:DIU604 3.7 73.8 0.6
C5 A:DIU604 3.7 76.1 0.6
CB A:GLU140 3.9 37.7 1.0
CD1 A:TYR137 3.9 40.0 1.0
I2 A:DIU604 4.0 76.0 0.6
OH A:TYR160 4.2 40.1 1.0
CE1 A:TYR137 4.3 42.8 1.0
C5 A:DIU604 4.4 52.8 0.4
C1 A:DIU604 4.4 71.6 0.6
C1 A:DIU604 4.5 51.2 0.4
C4 A:DIU604 4.5 76.3 0.6
CG A:GLU140 4.5 43.7 1.0
CG2 A:VAL141 4.7 35.5 1.0
CZ A:TYR160 4.8 45.8 1.0
CA A:TYR137 4.8 42.4 1.0
O A:HOH1089 4.9 56.7 1.0
C6 A:DIU604 4.9 40.3 0.4
CG A:TYR137 5.0 39.1 1.0

Iodine binding site 9 out of 14 in 5osw

Go back to Iodine Binding Sites List in 5osw
Iodine binding site 9 out of 14 in the Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I604

b:76.0
occ:0.60
I2 A:DIU604 0.0 76.0 0.6
C5 A:DIU604 2.1 76.1 0.6
C4 A:DIU604 3.0 76.3 0.6
C6 A:DIU604 3.1 73.8 0.6
O A:HOH1089 3.1 56.7 1.0
OH A:TYR160 3.5 40.1 1.0
CB A:PRO117 3.7 64.5 1.0
C4 A:DIU604 3.9 54.8 0.4
I1 A:DIU604 4.0 53.8 0.4
C3 A:DIU604 4.1 56.1 0.4
CA A:PRO117 4.2 70.4 1.0
C3 A:DIU604 4.4 63.4 0.6
C1 A:DIU604 4.4 71.6 0.6
CG A:PRO117 4.4 56.5 1.0
CZ A:TYR160 4.4 45.8 1.0
CG2 A:ILE181 4.4 54.8 1.0
CD A:PRO117 4.5 62.2 1.0
CD1 A:LEU122 4.5 54.3 1.0
CE1 A:TYR160 4.5 49.2 1.0
N A:PRO117 4.5 66.5 1.0
O A:HOH1118 4.6 57.5 1.0
O A:LEU115 4.7 91.7 1.0
C5 A:DIU604 4.7 52.8 0.4
C2 A:DIU604 4.9 67.9 0.6

Iodine binding site 10 out of 14 in 5osw

Go back to Iodine Binding Sites List in 5osw
Iodine binding site 10 out of 14 in the Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I604

b:44.8
occ:0.40
I2 A:DIU604 0.0 44.8 0.4
C3 A:DIU604 1.1 63.4 0.6
C2 A:DIU604 1.5 67.9 0.6
I1 A:DIU604 1.7 52.8 0.6
O3 A:DIU604 1.8 68.4 0.6
C5 A:DIU604 2.1 52.8 0.4
C4 A:DIU604 2.5 76.3 0.6
C1 A:DIU604 2.9 71.6 0.6
C4 A:DIU604 3.0 54.8 0.4
C6 A:DIU604 3.0 40.3 0.4
C5 A:DIU604 3.4 76.1 0.6
C6 A:DIU604 3.6 73.8 0.6
CA A:ARG185 3.8 39.6 1.0
N A:ARG185 3.8 33.3 1.0
CB A:ARG185 4.0 45.5 1.0
O A:ILE181 4.0 52.3 1.0
C A:DIU604 4.0 70.6 0.6
OH A:TYR137 4.1 34.5 1.0
CE1 A:TYR137 4.3 42.8 1.0
O2 A:DIU604 4.3 52.5 0.6
C3 A:DIU604 4.3 56.1 0.4
C1 A:DIU604 4.4 51.2 0.4
C A:MET184 4.4 36.7 1.0
CG A:ARG185 4.4 51.5 1.0
CG2 A:VAL188 4.5 24.9 1.0
CB A:MET184 4.6 41.8 1.0
CG A:MET184 4.6 40.3 1.0
CG2 A:ILE181 4.6 54.8 1.0
CZ A:TYR137 4.7 36.4 1.0
SD A:MET184 4.7 46.5 1.0
CE1 A:TYR160 4.7 49.2 1.0
CD1 A:TYR160 4.8 44.0 1.0
O A:MET184 4.8 38.5 1.0
CB A:VAL188 4.9 24.6 1.0
C2 A:DIU604 4.9 50.1 0.4

Reference:

A.Bujacz, J.A.Talaj, K.Zielinski, A.J.Pietrzyk-Brzezinska, P.Neumann. Crystal Structures of Serum Albumins From Domesticated Ruminants and Their Complexes with 3,5-Diiodosalicylic Acid. Acta Crystallogr D Struct V. 73 896 2017BIOL.
ISSN: ISSN 2059-7983
PubMed: 29095162
DOI: 10.1107/S205979831701470X
Page generated: Sun Dec 13 19:40:54 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy