Chlorine in PDB 6hn1: Complex of Caprine Serum Albumin with Diclofenac

The structure of Complex of Caprine Serum Albumin with Diclofenac, PDB code: 6hn1 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)	50.00 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.960, 66.280, 212.580, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 23.9

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Complex of Caprine Serum Albumin with Diclofenac (pdb code 6hn1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Complex of Caprine Serum Albumin with Diclofenac, PDB code: 6hn1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in the Complex of Caprine 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 Caprine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:22.8 occ:1.00 CL2 A:DIF601 0.0 22.8 1.0 C2 A:DIF601 1.8 20.6 1.0 C3 A:DIF601 2.7 20.1 1.0 C1 A:DIF601 2.8 24.3 1.0 N1 A:DIF601 3.0 21.4 1.0 C8 A:DIF601 3.2 19.0 1.0 C9 A:DIF601 3.4 15.3 1.0 CB A:ASN390 3.6 14.8 0.5 OD1 A:ASN390 3.6 20.6 0.5 CB A:ASN390 3.7 16.3 0.5 CG2 A:THR448 3.8 15.9 1.0 CB A:THR448 3.9 13.0 1.0 CG2 A:ILE387 4.0 18.1 1.0 CA A:ILE387 4.0 15.0 1.0 C4 A:DIF601 4.0 18.6 1.0 C6 A:DIF601 4.0 27.2 1.0 CG1 A:ILE387 4.0 16.7 1.0 CG A:ASN390 4.0 14.5 0.5 C7 A:DIF601 4.1 17.0 1.0 CB A:ILE387 4.2 17.0 1.0 CG A:ASN390 4.2 17.2 0.5 OG1 A:THR448 4.2 17.6 1.0 C10 A:DIF601 4.3 16.9 1.0 O A:ILE387 4.3 14.9 1.0 C5 A:DIF601 4.5 19.9 1.0 C A:ILE387 4.6 15.1 1.0 ND2 A:ASN390 4.7 17.4 0.5 C13 A:DIF601 4.7 21.8 1.0 OD1 A:ASN390 4.7 18.1 0.5 C12 A:DIF601 4.8 16.5 1.0 C11 A:DIF601 4.9 18.8 1.0

Chlorine binding site 2 out of 13 in the Complex of Caprine 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 Caprine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:24.6 occ:1.00 CL4 A:DIF601 0.0 24.6 1.0 C4 A:DIF601 1.7 18.6 1.0 C5 A:DIF601 2.7 19.9 1.0 C3 A:DIF601 2.7 20.1 1.0 N1 A:DIF601 3.0 21.4 1.0 O A:HOH804 3.3 21.9 1.0 OH A:TYR410 3.4 23.4 1.0 NH1 A:ARG409 3.6 16.2 0.5 O2 A:DIF601 3.6 24.1 1.0 CE1 A:TYR410 3.9 17.5 1.0 C6 A:DIF601 4.0 27.2 1.0 C8 A:DIF601 4.0 19.0 1.0 C2 A:DIF601 4.0 20.6 1.0 CD1 A:LEU452 4.0 19.4 1.0 CZ A:TYR410 4.1 22.6 1.0 CD2 A:LEU406 4.1 15.2 1.0 O A:HOH997 4.4 18.3 1.0 OD1 A:ASN390 4.4 20.6 0.5 C1 A:DIF601 4.5 24.3 1.0 C9 A:DIF601 4.5 15.3 1.0 CG A:LEU452 4.6 16.1 1.0 CD2 A:LEU452 4.7 14.2 1.0 CZ A:ARG409 4.7 15.2 0.5 OD1 A:ASN390 4.7 18.1 0.5 C14 A:DIF601 4.8 22.9 1.0 CD1 A:LEU429 4.8 17.0 1.0 CD2 A:LEU429 4.8 18.9 1.0 C7 A:DIF601 4.9 17.0 1.0

Chlorine binding site 3 out of 13 in the Complex of Caprine 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 Caprine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:55.9 occ:1.00 CL2 A:DIF602 0.0 55.9 1.0 C2 A:DIF602 1.7 38.9 1.0 C3 A:DIF602 2.6 41.5 1.0 N1 A:DIF602 2.7 39.5 1.0 C1 A:DIF602 2.8 41.8 1.0 C8 A:DIF602 3.7 34.0 1.0 C4 A:DIF602 4.0 35.6 1.0 ND2 A:ASN404 4.0 20.9 1.0 CB A:ASN404 4.0 18.0 1.0 C6 A:DIF602 4.0 41.7 1.0 CA A:GLY401 4.3 18.1 1.0 C13 A:DIF602 4.4 49.3 1.0 O A:GLY401 4.4 18.3 1.0 C7 A:DIF602 4.4 46.0 1.0 O A:HOH1092 4.5 44.6 1.0 C5 A:DIF602 4.5 35.9 1.0 C9 A:DIF602 4.5 33.2 1.0 CG A:ASN404 4.5 15.5 1.0 C A:GLY401 4.8 18.3 1.0 CE A:LYS544 4.9 55.6 1.0

Chlorine binding site 4 out of 13 in the Complex of Caprine 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 Caprine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:31.8 occ:1.00 CL4 A:DIF602 0.0 31.8 1.0 C4 A:DIF602 1.8 35.6 1.0 C3 A:DIF602 2.8 41.5 1.0 C5 A:DIF602 2.8 35.9 1.0 N1 A:DIF602 3.1 39.5 1.0 C9 A:DIF602 3.2 33.2 1.0 O A:LEU543 3.3 17.3 1.0 C8 A:DIF602 3.3 34.0 1.0 CG A:MET547 3.4 22.4 1.0 C A:LEU543 3.5 16.9 1.0 N A:LYS544 3.7 21.5 1.0 CB A:MET547 3.7 21.9 1.0 CA A:LYS544 3.7 20.6 1.0 CD1 A:LEU528 3.8 18.8 1.0 CB A:LEU543 3.9 19.1 1.0 C2 A:DIF602 4.1 38.9 1.0 C6 A:DIF602 4.1 41.7 1.0 CG A:LYS544 4.2 34.9 1.0 C10 A:DIF602 4.3 40.2 1.0 CD2 A:LEU528 4.3 19.9 1.0 CA A:LEU543 4.3 19.4 1.0 C7 A:DIF602 4.4 46.0 1.0 CB A:LYS544 4.6 26.7 1.0 C1 A:DIF602 4.6 41.8 1.0 O1 A:DIF602 4.7 54.2 1.0 CG A:LEU528 4.7 18.0 1.0 C A:LYS544 4.8 20.0 1.0 CA A:MET547 5.0 16.9 1.0 O A:LYS544 5.0 22.5 1.0

Chlorine binding site 5 out of 13 in the Complex of Caprine 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 Caprine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:54.0 occ:1.00 CL2 A:DIF603 0.0 54.0 1.0 C2 A:DIF603 1.8 57.0 1.0 C1 A:DIF603 2.8 46.1 1.0 C3 A:DIF603 2.8 59.5 1.0 O A:LYS131 3.1 29.8 1.0 N1 A:DIF603 3.1 54.0 1.0 C8 A:DIF603 3.3 36.8 1.0 C9 A:DIF603 3.4 34.4 1.0 CA A:GLY135 3.7 23.1 1.0 C A:LYS131 3.7 29.4 1.0 CA A:LYS132 3.8 26.8 1.0 CG A:LYS131 3.9 42.4 1.0 N A:GLY135 4.0 27.3 1.0 N A:LYS132 4.0 27.7 1.0 C6 A:DIF603 4.1 41.0 1.0 C4 A:DIF603 4.1 62.9 1.0 C10 A:DIF603 4.3 39.9 1.0 C7 A:DIF603 4.4 41.4 1.0 O A:LYS132 4.4 27.8 1.0 CD A:LYS131 4.5 50.5 1.0 C A:LYS132 4.5 21.8 1.0 CE3 A:TRP134 4.5 28.6 1.0 CB A:LYS131 4.6 36.1 1.0 C5 A:DIF603 4.6 37.1 1.0 CZ A:PHE36 4.6 35.4 1.0 CA A:LYS131 4.7 29.0 1.0 C A:GLY135 4.8 22.5 1.0 CB A:LYS132 5.0 27.2 1.0

Chlorine binding site 6 out of 13 in the Complex of Caprine 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 Caprine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:0.6 occ:1.00 CL4 A:DIF603 0.0 0.6 1.0 C4 A:DIF603 1.8 62.9 1.0 C5 A:DIF603 2.8 37.1 1.0 C3 A:DIF603 2.8 59.5 1.0 N1 A:DIF603 3.1 54.0 1.0 O1 A:DIF603 3.2 48.9 1.0 OE1 A:GLN20 3.4 36.7 1.0 CE A:LYS44 3.6 45.6 1.0 CG A:LYS44 3.8 27.0 1.0 NE2 A:GLN20 3.8 23.2 1.0 CD A:GLN20 3.9 23.3 1.0 C8 A:DIF603 3.9 36.8 1.0 C6 A:DIF603 4.1 41.0 1.0 C2 A:DIF603 4.1 57.0 1.0 CD A:LYS44 4.3 31.8 1.0 C14 A:DIF603 4.4 51.5 1.0 NZ A:LYS44 4.4 58.3 1.0 O A:HOH711 4.5 42.7 1.0 C9 A:DIF603 4.5 34.4 1.0 C1 A:DIF603 4.6 46.1 1.0 C7 A:DIF603 4.8 41.4 1.0

Chlorine binding site 7 out of 13 in the Complex of Caprine 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 Caprine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:36.5 occ:1.00 CL2 A:DIF604 0.0 36.5 1.0 C2 A:DIF604 1.7 40.5 1.0 C1 A:DIF604 2.7 41.6 1.0 C3 A:DIF604 2.7 42.1 1.0 N1 A:DIF604 3.0 35.2 1.0 C8 A:DIF604 3.2 30.1 1.0 CD1 A:TYR137 3.4 24.6 1.0 C9 A:DIF604 3.4 34.5 1.0 CE1 A:TYR137 3.7 25.1 1.0 CG2 A:VAL141 3.8 27.8 1.0 C4 A:DIF604 4.0 40.6 1.0 C6 A:DIF604 4.0 46.9 1.0 O A:HOH1090 4.0 29.9 1.0 C7 A:DIF604 4.0 29.0 1.0 CD1 A:LEU115 4.2 34.5 1.0 C10 A:DIF604 4.3 29.4 1.0 CG A:TYR137 4.3 21.9 1.0 CB A:GLU140 4.3 18.6 1.0 O A:TYR137 4.5 19.9 1.0 C5 A:DIF604 4.5 38.1 1.0 CA A:TYR137 4.5 19.2 1.0 C13 A:DIF604 4.7 32.6 1.0 CE1 A:TYR160 4.7 28.5 1.0 CZ A:TYR137 4.8 23.3 1.0 OH A:TYR160 4.8 35.7 1.0 CB A:TYR137 4.8 22.1 1.0 CZ A:TYR160 4.8 26.1 1.0 C12 A:DIF604 4.8 32.5 1.0 N A:VAL141 4.9 18.0 1.0 C11 A:DIF604 5.0 31.2 1.0 C A:TYR137 5.0 16.7 1.0

Chlorine binding site 8 out of 13 in the Complex of Caprine 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 Caprine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:41.2 occ:1.00 CL4 A:DIF604 0.0 41.2 1.0 C4 A:DIF604 1.7 40.6 1.0 C5 A:DIF604 2.7 38.1 1.0 C3 A:DIF604 2.7 42.1 1.0 N1 A:DIF604 3.1 35.2 1.0 CB A:LEU115 3.5 36.4 1.0 O A:LEU115 3.5 37.4 1.0 O A:HOH789 3.5 34.3 1.0 C A:LEU115 3.6 36.9 1.0 CD A:PRO117 3.6 38.6 1.0 O2 A:DIF604 3.7 44.5 1.0 N A:PRO117 3.8 36.8 1.0 N A:LYS116 3.9 46.1 1.0 C2 A:DIF604 4.0 40.5 1.0 C6 A:DIF604 4.0 46.9 1.0 C8 A:DIF604 4.0 30.1 1.0 C A:LYS116 4.1 41.2 1.0 CA A:LYS116 4.1 46.0 1.0 CA A:LEU115 4.2 29.5 1.0 CG A:PRO117 4.3 39.5 1.0 C9 A:DIF604 4.5 34.5 1.0 C1 A:DIF604 4.5 41.6 1.0 CB A:PRO117 4.5 36.3 1.0 CG2 A:ILE181 4.6 39.6 1.0 CA A:PRO117 4.6 40.2 1.0 C14 A:DIF604 4.7 31.2 1.0 CG A:LEU115 4.7 35.0 1.0 O A:LYS116 4.8 50.0 1.0 CD1 A:LEU115 4.8 34.5 1.0

Chlorine binding site 9 out of 13 in the Complex of Caprine 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 Caprine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:43.9 occ:1.00 CL2 A:DIF605 0.0 43.9 1.0 C2 A:DIF605 1.8 39.1 1.0 C1 A:DIF605 2.8 41.5 1.0 C3 A:DIF605 2.8 24.0 1.0 N1 A:DIF605 3.0 29.8 1.0 OD2 A:ASP323 3.4 48.7 1.0 CD A:LYS211 3.6 32.9 1.0 O1 A:DIF605 3.7 31.6 1.0 CB A:ASP323 3.9 30.5 1.0 CG A:ASP323 3.9 36.0 1.0 C8 A:DIF605 4.0 30.0 1.0 C6 A:DIF605 4.1 37.5 1.0 C4 A:DIF605 4.1 31.2 1.0 NZ A:LYS211 4.5 40.2 1.0 CB A:LYS211 4.5 21.9 1.0 C9 A:DIF605 4.6 24.3 1.0 C5 A:DIF605 4.6 29.0 1.0 CG A:LYS211 4.6 24.0 1.0 CE A:LYS211 4.7 39.3 1.0 C14 A:DIF605 4.8 34.4 1.0 CG A:ARG208 4.9 36.4 1.0 OD1 A:ASP323 4.9 42.3 1.0 CA A:ASP323 5.0 26.2 1.0 CB A:ARG208 5.0 27.1 1.0

Chlorine binding site 10 out of 13 in the Complex of Caprine 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 Caprine Serum Albumin with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:35.5 occ:1.00 CL4 A:DIF605 0.0 35.5 1.0 C4 A:DIF605 1.8 31.2 1.0 C3 A:DIF605 2.8 24.0 1.0 C5 A:DIF605 2.8 29.0 1.0 N1 A:DIF605 3.1 29.8 1.0 C8 A:DIF605 3.2 30.0 1.0 C9 A:DIF605 3.4 24.3 1.0 CB A:VAL215 3.6 16.8 1.0 CG2 A:VAL215 3.8 21.4 1.0 C7 A:DIF605 3.9 34.2 1.0 CG1 A:VAL215 4.0 23.4 1.0 C2 A:DIF605 4.1 39.1 1.0 CA A:GLY327 4.1 17.4 1.0 C6 A:DIF605 4.1 37.5 1.0 CG1 A:VAL234 4.1 20.3 1.0 C10 A:DIF605 4.2 32.8 1.0 CG2 A:THR231 4.3 26.6 1.0 O A:LYS211 4.4 18.4 1.0 C13 A:DIF605 4.5 32.9 1.0 C12 A:DIF605 4.6 43.2 1.0 CG2 A:VAL234 4.6 21.2 1.0 C1 A:DIF605 4.6 41.5 1.0 C11 A:DIF605 4.7 39.5 1.0 CB A:VAL234 4.7 18.8 1.0 CA A:VAL215 4.9 15.2 1.0 C A:GLY327 4.9 16.6 1.0 C A:LYS211 5.0 19.4 1.0

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