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Chlorine in PDB 2ra6: Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol

Protein crystallography data

The structure of Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol, PDB code: 2ra6 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) 20.00 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.318, 100.470, 84.702, 90.00, 90.02, 90.00
R / Rfree (%) 22.6 / 24.1

Other elements in 2ra6:

The structure of Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol also contains other interesting chemical elements:

Zinc (Zn) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol (pdb code 2ra6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol, PDB code: 2ra6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 2ra6

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Chlorine binding site 1 out of 9 in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol


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 with Bound 4-Ethylphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl901

b:20.5
occ:1.00
 ZN A:ZN803 2.3 17.5 1.0
NE2 A:HIS27 3.3 26.0 1.0
NE2 A:HIS29 3.5 12.5 1.0
CE1 A:HIS27 3.5 27.3 1.0
CL A:CL902 3.6 18.5 1.0
CE1 A:HIS29 3.6 14.9 1.0
CD2 A:HIS27 4.6 25.6 1.0
CD2 A:HIS29 4.8 14.6 1.0
ND1 A:HIS27 4.8 26.3 1.0
ND1 A:HIS29 5.0 15.5 1.0

Chlorine binding site 2 out of 9 in 2ra6

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Chlorine binding site 2 out of 9 in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol


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 with Bound 4-Ethylphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl902

b:18.5
occ:1.00
 ZN A:ZN803 2.2 17.5 1.0
NE2 A:HIS29 3.5 12.5 1.0
CL A:CL901 3.6 20.5 1.0
O A:ARG131 3.7 17.7 1.0
NE2 A:HIS27 3.7 26.0 1.0
CA A:THR132 3.8 15.5 1.0
CG2 A:THR132 3.9 16.9 1.0
CB A:THR132 4.0 15.8 1.0
CD A:PRO133 4.0 17.1 1.0
CD2 A:HIS29 4.1 14.6 1.0
CD2 A:HIS27 4.1 25.6 1.0
CE1 A:HIS29 4.4 14.9 1.0
C A:ARG131 4.6 16.2 1.0
N A:THR132 4.6 16.1 1.0
C A:THR132 4.8 16.0 1.0
CE1 A:HIS27 4.8 27.3 1.0
N A:PRO133 4.8 15.8 1.0
CG A:PRO133 4.9 19.5 1.0

Chlorine binding site 3 out of 9 in 2ra6

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Chlorine binding site 3 out of 9 in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol


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 with Bound 4-Ethylphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl903

b:18.7
occ:1.00
 ZN B:ZN801 2.2 17.6 1.0
NE2 B:HIS29 3.5 11.0 1.0
NE2 B:HIS27 3.6 25.0 1.0
O B:ARG131 3.7 17.1 1.0
CL B:CL904 3.7 20.5 1.0
CA B:THR132 3.8 15.2 1.0
CG2 B:THR132 3.9 16.7 1.0
CB B:THR132 4.0 15.6 1.0
CD B:PRO133 4.0 16.5 1.0
CD2 B:HIS27 4.1 25.1 1.0
CD2 B:HIS29 4.2 14.4 1.0
CE1 B:HIS29 4.4 14.1 1.0
C B:ARG131 4.5 15.9 1.0
N B:THR132 4.6 14.9 1.0
CE1 B:HIS27 4.7 27.2 1.0
C B:THR132 4.8 15.1 1.0
N B:PRO133 4.8 14.9 1.0
CG B:PRO133 4.9 17.1 1.0

Chlorine binding site 4 out of 9 in 2ra6

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Chlorine binding site 4 out of 9 in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol


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 with Bound 4-Ethylphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl904

b:20.5
occ:1.00
 ZN B:ZN801 2.3 17.6 1.0
NE2 B:HIS27 3.3 25.0 1.0
CE1 B:HIS27 3.5 27.2 1.0
NE2 B:HIS29 3.5 11.0 1.0
CE1 B:HIS29 3.6 14.1 1.0
CL B:CL903 3.7 18.7 1.0
CD2 B:HIS27 4.6 25.1 1.0
ND1 B:HIS27 4.8 26.0 1.0
CD2 B:HIS29 4.9 14.4 1.0
ND1 B:HIS29 4.9 16.1 1.0

Chlorine binding site 5 out of 9 in 2ra6

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Chlorine binding site 5 out of 9 in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol


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 with Bound 4-Ethylphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl909

b:29.5
occ:1.00
 ZN B:ZN802 2.5 25.9 1.0
NZ B:LYS121 2.9 29.6 1.0
OD2 B:ASP37 3.3 19.2 1.0
N C:SER39 3.3 15.3 1.0
O C:HOH1000 3.3 41.9 1.0
O B:HOH942 3.5 28.6 1.0
CB C:ARG38 3.6 16.9 1.0
O C:HOH907 3.6 24.5 1.0
OE2 C:GLU42 3.6 21.9 1.0
OE1 C:GLU42 3.8 23.7 1.0
CD C:GLU42 3.9 22.6 1.0
CB C:SER39 3.9 18.6 1.0
C C:ARG38 3.9 15.6 1.0
CA C:SER39 4.0 16.7 1.0
O C:HOH912 4.0 21.1 1.0
CA C:ARG38 4.1 16.8 1.0
N C:ARG38 4.3 16.4 1.0
CE B:LYS121 4.3 26.5 1.0
OD1 C:ASP37 4.3 21.8 1.0
CG C:ARG38 4.4 20.4 1.0
CG B:ASP37 4.5 18.1 1.0
CD C:ARG38 4.6 22.4 1.0
CD B:LYS121 4.7 25.5 1.0
OG C:SER39 4.8 22.7 1.0
O C:ARG38 4.8 15.0 1.0
CG C:GLU42 5.0 22.4 1.0

Chlorine binding site 6 out of 9 in 2ra6

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Chlorine binding site 6 out of 9 in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl905

b:17.9
occ:1.00
 ZN C:ZN804 2.2 17.5 1.0
NE2 C:HIS29 3.5 12.9 1.0
O C:ARG131 3.7 17.6 1.0
CL C:CL906 3.7 21.1 1.0
NE2 C:HIS27 3.7 26.9 1.0
CA C:THR132 3.8 15.6 1.0
CG2 C:THR132 3.9 17.4 1.0
CB C:THR132 4.0 15.8 1.0
CD C:PRO133 4.0 17.5 1.0
CD2 C:HIS29 4.1 15.2 1.0
CD2 C:HIS27 4.2 27.0 1.0
CE1 C:HIS29 4.4 15.1 1.0
C C:ARG131 4.5 16.1 1.0
N C:THR132 4.6 16.1 1.0
CE1 C:HIS27 4.7 29.0 1.0
C C:THR132 4.8 15.9 1.0
N C:PRO133 4.8 15.3 1.0
CG C:PRO133 4.9 18.8 1.0

Chlorine binding site 7 out of 9 in 2ra6

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Chlorine binding site 7 out of 9 in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl906

b:21.1
occ:1.00
 ZN C:ZN804 2.3 17.5 1.0
NE2 C:HIS27 3.3 26.9 1.0
CE1 C:HIS27 3.5 29.0 1.0
NE2 C:HIS29 3.5 12.9 1.0
CE1 C:HIS29 3.6 15.1 1.0
CL C:CL905 3.7 17.9 1.0
CD2 C:HIS27 4.6 27.0 1.0
ND1 C:HIS27 4.8 27.6 1.0
CD2 C:HIS29 4.8 15.2 1.0
ND1 C:HIS29 5.0 16.5 1.0

Chlorine binding site 8 out of 9 in 2ra6

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Chlorine binding site 8 out of 9 in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl907

b:20.6
occ:1.00
 ZN D:ZN806 2.3 17.7 1.0
NE2 D:HIS27 3.3 29.3 1.0
CE1 D:HIS27 3.3 28.7 1.0
NE2 D:HIS29 3.5 11.1 1.0
CL D:CL908 3.6 19.1 1.0
CE1 D:HIS29 3.7 14.2 1.0
CD2 D:HIS27 4.6 28.5 1.0
ND1 D:HIS27 4.6 26.6 1.0
O D:HOH1000 4.9 38.2 1.0
CD2 D:HIS29 4.9 13.9 1.0
ND1 D:HIS29 5.0 16.6 1.0

Chlorine binding site 9 out of 9 in 2ra6

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Chlorine binding site 9 out of 9 in the Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-Ethylphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl908

b:19.1
occ:1.00
 ZN D:ZN806 2.2 17.7 1.0
O D:HOH1006 3.5 36.6 1.0
NE2 D:HIS29 3.5 11.1 1.0
CL D:CL907 3.6 20.6 1.0
O D:ARG131 3.7 17.3 1.0
CA D:THR132 3.8 15.2 1.0
CG2 D:THR132 3.8 15.8 1.0
NE2 D:HIS27 3.9 29.3 1.0
CB D:THR132 4.0 15.6 1.0
CD D:PRO133 4.0 16.7 1.0
CD2 D:HIS29 4.2 13.9 1.0
CE1 D:HIS29 4.4 14.2 1.0
CD2 D:HIS27 4.5 28.5 1.0
C D:ARG131 4.6 15.5 1.0
N D:THR132 4.7 14.5 1.0
CE1 D:HIS27 4.7 28.7 1.0
C D:THR132 4.8 15.7 1.0
N D:PRO133 4.8 14.4 1.0
CG D:PRO133 4.9 17.2 1.0

Reference:

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
Page generated: Fri Jul 11 00:26:17 2025

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