Chlorine in PDB 6hn0: Complex of Ovine Serum Albumin with Diclofenac

The structure of Complex of Ovine Serum Albumin with Diclofenac, PDB code: 6hn0 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)	48.36 / 2.12
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.680, 121.680, 121.770, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 21

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

Binding sites:

The binding sites of Chlorine atom in the Complex of Ovine Serum Albumin with Diclofenac (pdb code 6hn0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the Complex of Ovine Serum Albumin with Diclofenac, PDB code: 6hn0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in the Complex of Ovine Serum Albumin with Diclofenac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex of Ovine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:51.7 occ:1.00 CL2 A:DIF601 0.0 51.7 1.0 C2 A:DIF601 1.7 42.4 1.0 C1 A:DIF601 2.7 38.9 1.0 C3 A:DIF601 2.7 40.4 1.0 C9 A:DIF601 3.0 44.1 1.0 N1 A:DIF601 3.1 42.4 1.0 C8 A:DIF601 3.2 39.5 1.0 CA A:ILE387 3.5 33.6 1.0 CB A:ASN390 3.7 33.9 1.0 CG1 A:ILE387 3.7 37.9 1.0 CG2 A:THR448 3.8 30.0 1.0 C10 A:DIF601 3.9 44.1 1.0 C6 A:DIF601 3.9 40.9 1.0 C4 A:DIF601 4.0 39.5 1.0 CB A:THR448 4.0 29.6 1.0 CB A:ILE387 4.0 36.1 1.0 O A:ILE387 4.0 35.5 1.0 O A:LEU386 4.2 35.1 1.0 C7 A:DIF601 4.2 40.3 1.0 CG2 A:ILE387 4.2 37.1 1.0 C A:ILE387 4.3 34.3 1.0 N A:ILE387 4.4 34.5 1.0 OG1 A:THR448 4.4 30.6 1.0 C5 A:DIF601 4.5 38.8 1.0 SG A:CYS391 4.5 33.7 1.0 CG A:ASN390 4.6 36.4 1.0 C A:LEU386 4.6 34.9 1.0 N A:CYS391 4.7 29.8 1.0 CA A:ASN390 4.7 32.8 1.0 C11 A:DIF601 4.7 43.6 1.0 C A:ASN390 4.9 32.5 1.0 C12 A:DIF601 4.9 41.7 1.0 ND2 A:ASN390 4.9 36.5 1.0 CD1 A:ILE387 5.0 38.9 1.0

Chlorine binding site 2 out of 14 in the Complex of Ovine Serum Albumin with Diclofenac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Complex of Ovine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:47.9 occ:1.00 CL4 A:DIF601 0.0 47.9 1.0 C4 A:DIF601 1.7 39.5 1.0 C5 A:DIF601 2.7 38.8 1.0 C3 A:DIF601 2.7 40.4 1.0 N1 A:DIF601 3.0 42.4 1.0 O1 A:DIF601 3.2 54.0 1.0 CD2 A:LEU406 3.8 35.6 1.0 C6 A:DIF601 3.9 40.9 1.0 C2 A:DIF601 4.0 42.4 1.0 C8 A:DIF601 4.1 39.5 1.0 CD1 A:LEU452 4.2 34.0 1.0 CD2 A:LEU452 4.2 38.1 1.0 NH2 A:ARG409 4.2 42.1 1.0 CB A:LEU429 4.3 30.5 1.0 CD2 A:LEU429 4.3 32.2 1.0 C14 A:DIF601 4.4 47.5 1.0 OD1 A:ASN390 4.4 39.5 1.0 CD1 A:LEU406 4.5 37.4 1.0 C1 A:DIF601 4.5 38.9 1.0 O A:LEU429 4.6 29.6 1.0 CG A:LEU452 4.6 34.5 1.0 CG A:LEU429 4.7 31.7 1.0 CD1 A:LEU429 4.7 30.8 1.0 CZ A:PHE402 4.8 34.1 1.0 CG A:LEU406 4.8 34.4 1.0 C9 A:DIF601 4.8 44.1 1.0 CG A:ASN390 4.9 36.4 1.0 C7 A:DIF601 4.9 40.3 1.0 C A:LEU429 4.9 31.4 1.0 C13 A:DIF601 5.0 45.9 1.0

Chlorine binding site 3 out of 14 in the Complex of Ovine Serum Albumin with Diclofenac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Complex of Ovine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:98.2 occ:1.00 CL2 A:DIF602 0.0 98.2 1.0 C2 A:DIF602 1.8 82.7 1.0 C1 A:DIF602 2.8 77.9 1.0 C3 A:DIF602 2.8 76.6 1.0 N1 A:DIF602 3.1 78.6 1.0 O A:HOH1007 3.3 52.9 1.0 O2 A:DIF602 3.3 81.9 1.0 C8 A:DIF602 3.9 72.0 1.0 NZ A:LYS544 3.9 93.4 1.0 CA A:GLY401 4.0 33.9 1.0 C6 A:DIF602 4.1 72.2 1.0 C4 A:DIF602 4.1 68.8 1.0 CE A:LYS544 4.2 90.7 1.0 O A:GLY401 4.3 35.4 1.0 C9 A:DIF602 4.3 70.3 1.0 C14 A:DIF602 4.4 80.7 1.0 ND2 A:ASN404 4.4 37.8 1.0 CB A:ASN404 4.4 36.2 1.0 C5 A:DIF602 4.6 70.0 1.0 C A:GLY401 4.6 34.2 1.0 ND1 A:HIS397 4.7 61.5 1.0 C7 A:DIF602 4.7 76.5 1.0 CD A:LYS544 4.9 86.8 1.0 CG A:ASN404 5.0 36.6 1.0

Chlorine binding site 4 out of 14 in the Complex of Ovine Serum Albumin with Diclofenac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Complex of Ovine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:70.7 occ:1.00 CL4 A:DIF602 0.0 70.7 1.0 C4 A:DIF602 1.8 68.8 1.0 C5 A:DIF602 2.7 70.0 1.0 C3 A:DIF602 2.7 76.6 1.0 N1 A:DIF602 3.0 78.6 1.0 C8 A:DIF602 3.4 72.0 1.0 O A:LEU543 3.4 51.5 1.0 C A:LEU543 3.5 51.2 1.0 C9 A:DIF602 3.6 70.3 1.0 CG A:MET547 3.6 50.8 1.0 CB A:LEU543 3.7 48.5 1.0 N A:LYS544 3.7 57.4 1.0 CA A:LYS544 3.7 62.9 1.0 CB A:MET547 3.9 49.9 1.0 CD1 A:LEU528 3.9 33.4 1.0 C6 A:DIF602 4.0 72.2 1.0 C2 A:DIF602 4.0 82.7 1.0 CA A:LEU543 4.2 49.8 1.0 C7 A:DIF602 4.4 76.5 1.0 CD A:LYS544 4.4 86.8 1.0 CG A:LYS544 4.5 80.5 1.0 C1 A:DIF602 4.5 77.9 1.0 CD2 A:LEU528 4.6 33.8 1.0 CB A:LYS544 4.6 69.8 1.0 C10 A:DIF602 4.6 69.1 1.0 C A:LYS544 4.8 60.0 1.0 CG A:LEU528 4.9 32.5 1.0 C13 A:DIF602 5.0 77.8 1.0 CG A:LEU543 5.0 48.6 1.0

Chlorine binding site 5 out of 14 in the Complex of Ovine Serum Albumin with Diclofenac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Complex of Ovine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:64.8 occ:1.00 CL2 A:DIF603 0.0 64.8 1.0 C2 A:DIF603 1.8 58.9 1.0 C1 A:DIF603 2.7 54.8 1.0 C3 A:DIF603 2.7 57.9 1.0 O A:LYS131 2.9 38.7 1.0 N1 A:DIF603 3.0 51.9 1.0 C8 A:DIF603 3.2 49.1 1.0 C A:LYS131 3.4 40.9 1.0 C9 A:DIF603 3.4 48.7 1.0 CA A:GLY135 3.6 30.1 1.0 CA A:LYS132 3.7 38.4 1.0 CG A:LYS131 3.7 52.5 1.0 N A:GLY135 3.7 29.6 1.0 N A:LYS132 3.8 37.5 1.0 C6 A:DIF603 4.0 59.1 1.0 C4 A:DIF603 4.0 58.9 1.0 CD A:LYS131 4.1 58.4 1.0 CE3 A:TRP134 4.1 37.8 1.0 CE A:LYS131 4.1 63.2 1.0 C7 A:DIF603 4.1 52.3 1.0 O A:LYS132 4.3 32.7 1.0 C A:LYS132 4.3 35.3 1.0 C10 A:DIF603 4.4 49.6 1.0 CZ A:PHE36 4.4 37.1 1.0 CA A:LYS131 4.5 43.7 1.0 CZ3 A:TRP134 4.5 38.0 1.0 C5 A:DIF603 4.5 57.3 1.0 CB A:LYS131 4.6 46.4 1.0 C13 A:DIF603 4.8 53.5 1.0 C A:GLY135 4.8 31.6 1.0 CB A:LYS132 4.9 41.7 1.0 C12 A:DIF603 4.9 47.7 1.0 C A:TRP134 5.0 29.6 1.0

Chlorine binding site 6 out of 14 in the Complex of Ovine Serum Albumin with Diclofenac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Complex of Ovine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:76.3 occ:1.00 CL4 A:DIF603 0.0 76.3 1.0 C4 A:DIF603 1.8 58.9 1.0 C5 A:DIF603 2.8 57.3 1.0 C3 A:DIF603 2.8 57.9 1.0 N1 A:DIF603 3.0 51.9 1.0 CE A:LYS44 3.4 56.5 1.0 OE1 A:GLN20 3.5 49.6 1.0 O1 A:DIF603 3.7 64.2 1.0 CG A:LYS44 3.8 46.0 1.0 C8 A:DIF603 3.8 49.1 1.0 C2 A:DIF603 4.0 58.9 1.0 C6 A:DIF603 4.1 59.1 1.0 CD A:GLN20 4.2 44.5 1.0 CD A:LYS44 4.2 51.1 1.0 NE2 A:GLN20 4.3 45.0 1.0 C9 A:DIF603 4.3 48.7 1.0 CG1 A:VAL40 4.5 37.2 1.0 C14 A:DIF603 4.5 60.8 1.0 C1 A:DIF603 4.6 54.8 1.0 NZ A:LYS44 4.6 62.4 1.0 C7 A:DIF603 4.8 52.3 1.0 NZ A:LYS131 5.0 65.4 1.0

Chlorine binding site 7 out of 14 in the Complex of Ovine Serum Albumin with Diclofenac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Complex of Ovine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:88.8 occ:1.00 CL2 A:DIF604 0.0 88.8 1.0 C2 A:DIF604 1.8 89.6 1.0 C1 A:DIF604 2.8 90.7 1.0 C3 A:DIF604 2.8 87.0 1.0 N1 A:DIF604 2.9 72.5 1.0 C8 A:DIF604 3.2 69.8 1.0 CD1 A:TYR137 3.4 36.9 1.0 C9 A:DIF604 3.5 71.5 1.0 O A:HOH1032 3.6 54.3 1.0 CE1 A:TYR137 3.7 36.9 1.0 CG2 A:VAL141 3.9 29.3 1.0 C7 A:DIF604 3.9 66.3 1.0 C6 A:DIF604 4.1 97.4 1.0 C4 A:DIF604 4.1 92.8 1.0 CB A:GLU140 4.2 31.6 1.0 CD1 A:LEU115 4.2 64.4 1.0 CG A:TYR137 4.4 35.4 1.0 C10 A:DIF604 4.5 70.5 1.0 C13 A:DIF604 4.5 72.0 1.0 O A:TYR137 4.5 31.5 1.0 CA A:TYR137 4.6 33.0 1.0 C5 A:DIF604 4.6 95.5 1.0 CD2 A:LEU115 4.7 61.9 1.0 C12 A:DIF604 4.8 68.2 1.0 CZ A:TYR137 4.8 37.5 1.0 CB A:TYR137 4.8 34.1 1.0 N A:VAL141 4.8 28.0 1.0 OH A:TYR160 4.9 61.2 1.0 CG A:GLU140 4.9 33.2 1.0 CG A:LEU115 4.9 64.4 1.0 CE1 A:TYR160 5.0 50.6 1.0 CZ A:TYR160 5.0 54.0 1.0 C11 A:DIF604 5.0 66.8 1.0

Chlorine binding site 8 out of 14 in the Complex of Ovine Serum Albumin with Diclofenac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Complex of Ovine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:95.0 occ:1.00 CL4 A:DIF604 0.0 95.0 1.0 C4 A:DIF604 1.8 92.8 1.0 C5 A:DIF604 2.7 95.5 1.0 C3 A:DIF604 2.8 87.0 1.0 N1 A:DIF604 3.1 72.5 1.0 NH1 A:ARG185 3.3 78.7 1.0 O A:LEU115 3.4 62.3 1.0 O2 A:DIF604 3.6 75.8 1.0 O A:HOH719 3.8 65.3 1.0 CZ A:ARG185 3.8 81.1 1.0 CD A:PRO117 3.8 66.6 1.0 CB A:LEU115 3.8 64.8 1.0 C A:LEU115 3.8 65.0 1.0 C8 A:DIF604 3.9 69.8 1.0 CG2 A:ILE181 4.0 50.1 1.0 NH2 A:ARG185 4.0 82.0 1.0 C6 A:DIF604 4.0 97.4 1.0 C2 A:DIF604 4.1 89.6 1.0 N A:PRO117 4.1 68.9 1.0 CG A:PRO117 4.2 68.8 1.0 C9 A:DIF604 4.3 71.5 1.0 CA A:LEU115 4.5 64.3 1.0 N A:LYS116 4.5 71.3 1.0 C A:LYS116 4.5 73.4 1.0 NE A:ARG185 4.5 74.9 1.0 C1 A:DIF604 4.6 90.7 1.0 CB A:PRO117 4.6 68.8 1.0 CA A:LYS116 4.7 77.5 1.0 C14 A:DIF604 4.8 75.2 1.0 CA A:PRO117 4.8 69.6 1.0 C7 A:DIF604 5.0 66.3 1.0

Chlorine binding site 9 out of 14 in the Complex of Ovine Serum Albumin with Diclofenac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Complex of Ovine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:88.6 occ:0.90 CL2 A:DIF605 0.0 88.6 0.9 C2 A:DIF605 1.8 83.8 0.9 C3 A:DIF605 2.8 87.9 0.9 N1 A:DIF605 2.8 81.8 0.9 C1 A:DIF605 2.8 88.1 0.9 C13 A:DIF605 3.3 85.9 0.9 CG A:ARG208 3.3 64.9 1.0 O A:HOH1016 3.3 71.8 1.0 CD A:ARG208 3.6 76.4 1.0 NH2 A:ARG208 3.6 84.3 1.0 C8 A:DIF605 3.9 84.5 0.9 C6 A:DIF605 4.1 90.0 0.9 C7 A:DIF605 4.1 82.0 0.9 C4 A:DIF605 4.1 90.4 0.9 O1 A:DIF605 4.3 72.9 0.9 C14 A:DIF605 4.3 82.7 0.9 CD A:LYS211 4.4 46.5 1.0 CB A:ARG208 4.5 54.5 1.0 NE A:ARG208 4.5 84.5 1.0 CE A:LYS211 4.5 51.7 1.0 CZ A:ARG208 4.6 88.5 1.0 C5 A:DIF605 4.6 86.2 0.9 NZ A:LYS211 4.7 60.7 1.0 CL4 A:DIF606 4.7 0.2 1.0 CA A:ARG208 4.8 44.9 1.0 O A:HOH884 4.9 67.2 1.0

Chlorine binding site 10 out of 14 in the Complex of Ovine Serum Albumin with Diclofenac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Complex of Ovine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:0.8 occ:0.90 CL4 A:DIF605 0.0 0.8 0.9 C4 A:DIF605 1.8 90.4 0.9 C5 A:DIF605 2.7 86.2 0.9 C9 A:DIF605 2.9 77.8 0.9 C3 A:DIF605 2.9 87.9 0.9 N1 A:DIF605 3.4 81.8 0.9 C8 A:DIF605 3.5 84.5 0.9 C10 A:DIF605 3.9 73.1 0.9 OG1 A:THR235 4.0 36.3 1.0 C6 A:DIF605 4.0 90.0 0.9 C2 A:DIF605 4.1 83.8 0.9 O A:HOH1069 4.3 60.4 1.0 O A:HOH884 4.3 67.2 1.0 C1 A:DIF605 4.6 88.1 0.9 NZ A:LYS211 4.8 60.7 1.0 C7 A:DIF605 4.9 82.0 0.9

J.A.Talaj, K.Zielinski, A.Bujacz. Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins. To Be Published.