Chlorine in PDB 2r74: Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6

The structure of Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6, PDB code: 2r74 was solved by R.P.Watson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.850, 44.580, 70.410, 90.00, 101.50, 90.00
R / Rfree (%)	21.4 / 24.2

The structure of Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 (pdb code 2r74). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6, PDB code: 2r74:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6


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 the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl168 b:27.8 occ:1.00 ZN A:ZN167 2.4 30.5 1.0 CG2 A:THR132 3.7 23.7 1.0 O A:HOH231 3.7 35.7 1.0 NE2 A:HIS27 3.7 32.6 1.0 CL A:CL169 3.8 29.8 1.0 O A:ARG131 3.8 26.4 1.0 CA A:THR132 3.8 23.3 1.0 NE2 A:HIS29 3.8 22.2 1.0 CB A:THR132 4.0 23.8 1.0 CD A:PRO133 4.0 25.1 1.0 CD2 A:HIS27 4.3 33.3 1.0 CD2 A:HIS29 4.3 20.8 1.0 C A:ARG131 4.7 24.9 1.0 N A:THR132 4.7 23.1 1.0 C A:THR132 4.8 23.7 1.0 N A:PRO133 4.8 23.3 1.0 CE1 A:HIS27 4.8 36.5 1.0 CE1 A:HIS29 4.9 25.1 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6


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 the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl169 b:29.8 occ:1.00 ZN A:ZN167 2.4 30.5 1.0 NE2 A:HIS29 3.4 22.2 1.0 NE2 A:HIS27 3.5 32.6 1.0 CE1 A:HIS27 3.6 36.5 1.0 CL A:CL168 3.8 27.8 1.0 CE1 A:HIS29 3.8 25.1 1.0 CD2 A:HIS29 4.7 20.8 1.0 CD2 A:HIS27 4.9 33.3 1.0 ND1 A:HIS27 5.0 35.6 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl168 b:26.4 occ:1.00 ZN B:ZN167 2.3 25.8 1.0 NE2 B:HIS27 3.4 29.4 1.0 NE2 B:HIS29 3.5 17.3 1.0 CE1 B:HIS27 3.5 31.4 1.0 CL B:CL169 3.7 24.6 1.0 CE1 B:HIS29 3.7 18.6 1.0 CD2 B:HIS29 4.8 16.5 1.0 CD2 B:HIS27 4.8 30.7 1.0 ND1 B:HIS27 4.8 31.7 1.0 O B:HOH253 4.9 35.5 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl169 b:24.6 occ:1.00 ZN B:ZN167 2.3 25.8 1.0 NE2 B:HIS29 3.6 17.3 1.0 CL B:CL168 3.7 26.4 1.0 O B:ARG131 3.7 20.0 1.0 NE2 B:HIS27 3.8 29.4 1.0 CA B:THR132 3.9 18.4 1.0 CG2 B:THR132 4.0 20.1 1.0 CB B:THR132 4.1 19.5 1.0 CD B:PRO133 4.1 21.6 1.0 CD2 B:HIS29 4.3 16.5 1.0 CD2 B:HIS27 4.4 30.7 1.0 CE1 B:HIS29 4.5 18.6 1.0 C B:ARG131 4.6 20.3 1.0 N B:THR132 4.8 18.2 1.0 CE1 B:HIS27 4.8 31.4 1.0 C B:THR132 5.0 20.6 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl170 b:28.1 occ:1.00 O B:HOH201 3.0 23.6 1.0 O B:HOH223 3.1 25.7 1.0 N B:CYS166 3.3 23.6 1.0 CA B:HIS165 3.4 23.7 1.0 NE B:ARG68 3.5 46.3 1.0 CB B:HIS165 3.6 22.6 1.0 CE2 B:PHE50 3.6 20.9 1.0 CZ B:PHE50 3.7 20.4 1.0 CB B:ARG68 3.8 30.6 1.0 C B:HIS165 3.8 23.4 1.0 SG B:CYS166 3.9 27.7 1.0 NH2 B:ARG68 4.0 50.1 1.0 CG B:ARG68 4.2 35.0 1.0 CZ B:ARG68 4.2 48.5 1.0 O B:ASP164 4.3 35.0 1.0 CB B:CYS166 4.4 23.7 1.0 CA B:CYS166 4.4 24.1 1.0 CD B:ARG68 4.5 40.9 1.0 CD2 B:PHE50 4.6 22.1 1.0 N B:HIS165 4.7 26.6 1.0 CE1 B:PHE50 4.8 22.9 1.0 OE1 B:GLU43 4.8 39.1 1.0 O B:HOH199 4.9 24.4 1.0 C B:ASP164 5.0 32.7 1.0

R.P.Watson, J.Demmer, E.N.Baker, V.L.Arcus. Three-Dimensional Structure and Ligand Binding Properties of Trichosurin, A Metatherian Lipocalin From the Milk Whey of the Common Brushtail Possum Trichosurus Vulpecula Biochem.J. V. 408 29 2007.
ISSN: ISSN 0264-6021
PubMed: 17685895
DOI: 10.1042/BJ20070567