Chlorine in PDB 1xki: Crystal Structure of Human Tear Lipocalin/Von Ebners Gland Protein

The structure of Crystal Structure of Human Tear Lipocalin/Von Ebners Gland Protein, PDB code: 1xki was solved by D.A.Breustedt, I.P.Korndoerfer, B.Redl, A.Skerra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.20 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.397, 61.415, 50.798, 90.00, 129.71, 90.00
R / Rfree (%)	18.9 / 25.4

The structure of Crystal Structure of Human Tear Lipocalin/Von Ebners Gland Protein also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human Tear Lipocalin/Von Ebners Gland Protein (pdb code 1xki). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Tear Lipocalin/Von Ebners Gland Protein, PDB code: 1xki:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Tear Lipocalin/Von Ebners Gland Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Tear Lipocalin/Von Ebners Gland Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1004 b:24.9 occ:1.00 ZN A:ZN1002 2.2 24.1 1.0 OE2 A:GLU125 3.3 29.1 1.0 N A:ALA126 3.5 21.7 1.0 N A:GLU125 3.5 21.8 1.0 CA A:LEU124 3.6 27.1 1.0 NE2 A:HIS96 3.6 24.2 1.0 CD2 A:LEU115 3.6 17.3 1.0 N A:LEU124 3.6 25.2 1.0 CG A:LYS20 3.7 16.2 1.0 CL A:CL1005 3.8 29.1 1.0 CB A:LYS20 3.8 17.0 1.0 CD2 A:HIS96 3.8 21.5 1.0 C A:LEU124 3.9 29.0 1.0 CD A:LYS20 4.1 18.7 1.0 OD1 A:ASN122 4.1 20.6 1.0 CB A:ALA126 4.1 23.4 1.0 CA A:ALA126 4.2 18.5 1.0 CD A:GLU125 4.4 30.1 1.0 C A:GLU125 4.5 24.0 1.0 CG A:LEU115 4.5 17.9 1.0 CA A:GLU125 4.5 24.5 1.0 C A:ASN123 4.6 28.7 1.0 C A:ALA126 4.7 24.6 1.0 CE A:LYS20 4.8 19.8 1.0 CE1 A:HIS96 4.8 24.2 1.0 CD2 A:LEU124 4.9 31.6 1.0 CB A:LEU124 4.9 34.5 1.0 N A:LEU127 4.9 21.5 1.0 N A:ASN123 4.9 23.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Tear Lipocalin/Von Ebners Gland Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Tear Lipocalin/Von Ebners Gland Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1005 b:29.1 occ:1.00 ZN A:ZN1002 2.3 24.1 1.0 N A:ASN123 3.3 23.6 1.0 O A:HOH1089 3.4 31.6 1.0 NZ A:LYS20 3.4 25.2 1.0 CE A:LYS20 3.4 19.8 1.0 O A:LYS121 3.4 26.1 1.0 OE2 A:GLU125 3.5 29.1 1.0 NE2 A:HIS96 3.6 24.2 1.0 ND2 A:ASN123 3.7 38.5 1.0 CL A:CL1004 3.8 24.9 1.0 CD A:LYS20 3.8 18.7 1.0 CB A:ASN123 3.8 30.7 1.0 CA A:ASN123 4.0 26.9 1.0 OE1 A:GLU125 4.0 30.0 1.0 CG A:ASN123 4.2 37.7 1.0 CD A:GLU125 4.2 30.1 1.0 C A:ASN122 4.2 23.8 1.0 CA A:ASN122 4.2 25.9 1.0 CE1 A:HIS96 4.3 24.2 1.0 N A:LEU124 4.4 25.2 1.0 C A:LYS121 4.5 27.0 1.0 OD1 A:ASN122 4.6 20.6 1.0 CD2 A:HIS96 4.6 21.5 1.0 CG A:LYS20 4.6 16.2 1.0 C A:ASN123 4.6 28.7 1.0 CB A:ASP119 4.6 32.1 1.0 N A:ASN122 4.9 21.5 1.0

D.A.Breustedt, I.P.Korndoerfer, B.Redl, A.Skerra. The 1.8-A Crystal Structure of Human Tear Lipocalin Reveals An Extended Branched Cavity with Capacity For Multiple Ligands J.Biol.Chem. V. 280 484 2005.
ISSN: ISSN 0021-9258
PubMed: 15489503
DOI: 10.1074/JBC.M410466200