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Chlorine in PDB 1i7w: Beta-Catenin/Phosphorylated E-Cadherin Complex

Protein crystallography data

The structure of Beta-Catenin/Phosphorylated E-Cadherin Complex, PDB code: 1i7w was solved by A.H.Huber, W.I.Weis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 100.00 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 168.600, 85.300, 115.100, 90.00, 107.90, 90.00
R / Rfree (%) 20.6 / 24.5

Other elements in 1i7w:

The structure of Beta-Catenin/Phosphorylated E-Cadherin Complex also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Beta-Catenin/Phosphorylated E-Cadherin Complex (pdb code 1i7w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Beta-Catenin/Phosphorylated E-Cadherin Complex, PDB code: 1i7w:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1i7w

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Chlorine binding site 1 out of 8 in the Beta-Catenin/Phosphorylated E-Cadherin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Beta-Catenin/Phosphorylated E-Cadherin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl703

b:51.8
occ:1.00
O A:HOH973 3.0 56.9 1.0
NZ A:LYS312 3.2 29.6 1.0
O A:HOH949 3.3 52.3 1.0
CE A:LYS312 3.6 30.2 1.0
CD A:LYS312 3.6 30.1 1.0
CG2 A:VAL349 4.2 36.0 1.0
O A:HOH907 4.2 73.7 1.0
CB A:GLN309 4.2 38.9 1.0
O A:VAL349 4.3 41.2 1.0
CG A:GLN309 4.3 45.4 1.0
CA A:GLN309 4.3 36.5 1.0
CB A:CYS350 4.3 40.1 1.0
CA A:CYS350 4.3 40.8 1.0
C A:VAL349 4.5 38.5 1.0
N A:CYS350 4.5 40.0 1.0
CD A:GLN309 4.6 51.7 1.0
NE2 A:GLN309 4.7 52.2 1.0
N A:GLN309 4.8 35.6 1.0
O A:HOH795 4.8 58.1 1.0
CG A:LYS312 4.9 27.3 1.0

Chlorine binding site 2 out of 8 in 1i7w

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Chlorine binding site 2 out of 8 in the Beta-Catenin/Phosphorylated E-Cadherin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Beta-Catenin/Phosphorylated E-Cadherin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl704

b:52.6
occ:1.00
CB B:SER690 3.2 72.8 1.0
NH2 A:ARG376 3.3 35.5 1.0
NH1 A:ARG376 3.5 37.9 1.0
C B:SER690 3.9 66.9 1.0
CZ A:ARG376 3.9 36.4 1.0
CA B:SER690 3.9 71.8 1.0
CZ3 A:TRP338 3.9 40.7 1.0
CE A:LYS335 4.0 40.9 1.0
O B:SER690 4.1 65.3 1.0
OG B:SER690 4.1 75.6 1.0
CG A:LYS335 4.1 35.4 1.0
N B:SER690 4.2 76.9 1.0
N B:LEU691 4.2 62.7 1.0
CE3 A:TRP338 4.3 36.9 1.0
CD A:LYS335 4.3 40.6 1.0
CD2 B:LEU691 4.5 50.6 1.0
CH2 A:TRP338 4.7 39.3 1.0
NZ A:LYS335 4.8 44.6 1.0
CA B:LEU691 4.9 58.4 1.0
CB B:ALA688 5.0 88.2 1.0

Chlorine binding site 3 out of 8 in 1i7w

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Chlorine binding site 3 out of 8 in the Beta-Catenin/Phosphorylated E-Cadherin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Beta-Catenin/Phosphorylated E-Cadherin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl705

b:38.3
occ:1.00
O A:HOH769 3.1 39.2 1.0
N A:GLN322 3.3 30.2 1.0
O A:HOH989 3.5 58.6 1.0
CD A:PRO321 3.6 27.5 1.0
CB A:PRO321 3.6 28.2 1.0
CB A:GLN322 3.7 34.3 1.0
CA A:GLY319 3.8 35.2 1.0
C A:GLY319 3.8 34.8 1.0
O A:GLY319 3.9 30.7 1.0
N A:PRO321 3.9 28.1 1.0
CG A:PRO321 4.0 26.8 1.0
CA A:GLN322 4.1 30.1 1.0
CA A:PRO321 4.1 27.2 1.0
C A:PRO321 4.1 26.1 1.0
N A:GLY320 4.4 30.9 1.0
CB A:ALA356 4.6 33.0 1.0
C A:GLY320 4.7 28.1 1.0
O A:HOH815 4.7 49.5 1.0
O A:HOH862 4.8 47.3 1.0
O A:LEU316 4.8 31.8 1.0
N A:GLY319 4.9 34.6 1.0
O A:ALA356 4.9 29.8 1.0

Chlorine binding site 4 out of 8 in 1i7w

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Chlorine binding site 4 out of 8 in the Beta-Catenin/Phosphorylated E-Cadherin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Beta-Catenin/Phosphorylated E-Cadherin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl707

b:42.7
occ:1.00
N A:THR332 3.3 36.1 1.0
N A:TYR333 3.4 38.4 1.0
O C:HOH952 3.4 60.7 1.0
CB A:TYR331 3.7 37.6 1.0
OG1 A:THR332 3.7 45.9 1.0
CB A:TYR333 3.7 38.8 1.0
CD2 A:TYR331 3.8 37.7 1.0
CG1 A:VAL291 3.8 34.4 1.0
CA A:TYR331 4.0 37.4 1.0
CA A:TYR333 4.1 38.4 1.0
C A:TYR331 4.2 33.0 1.0
CA A:THR332 4.2 37.3 1.0
C A:THR332 4.2 37.0 1.0
CG A:TYR331 4.2 36.6 1.0
CB A:THR332 4.6 40.9 1.0
CB A:VAL291 4.7 35.1 1.0
CG2 A:VAL291 4.8 36.6 1.0
O C:HOH727 4.8 38.6 1.0
O A:HOH965 4.8 64.4 1.0
CE2 A:TYR331 4.9 37.5 1.0
CD C:LYS158 4.9 48.9 1.0
CG A:TYR333 5.0 42.9 1.0

Chlorine binding site 5 out of 8 in 1i7w

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Chlorine binding site 5 out of 8 in the Beta-Catenin/Phosphorylated E-Cadherin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Beta-Catenin/Phosphorylated E-Cadherin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl701

b:40.2
occ:1.00
NE C:ARG453 3.0 33.7 1.0
NH2 C:ARG453 3.2 39.9 1.0
NH1 C:ARG449 3.4 39.8 1.0
CZ C:ARG453 3.5 40.2 1.0
CD C:ARG449 4.0 42.2 1.0
CD C:ARG453 4.2 36.9 1.0
CG C:ARG453 4.3 34.0 1.0
CZ C:ARG449 4.5 44.9 1.0
NE C:ARG449 4.7 44.4 1.0
CG C:ARG449 4.7 33.4 1.0
NH1 C:ARG453 4.9 37.2 1.0

Chlorine binding site 6 out of 8 in 1i7w

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Chlorine binding site 6 out of 8 in the Beta-Catenin/Phosphorylated E-Cadherin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Beta-Catenin/Phosphorylated E-Cadherin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl702

b:43.1
occ:1.00
O D:HOH733 2.8 41.9 1.0
O C:HOH974 2.8 43.8 1.0
NH2 C:ARG376 3.2 29.0 1.0
NH1 C:ARG376 3.3 36.4 1.0
O D:SER690 3.5 41.5 1.0
CE C:LYS335 3.6 30.0 1.0
C D:SER690 3.6 45.1 1.0
CZ C:ARG376 3.7 32.9 1.0
CB D:SER690 3.7 49.9 1.0
CD C:LYS335 3.8 29.8 1.0
CG C:LYS335 4.0 29.8 1.0
CD2 D:LEU691 4.0 36.1 1.0
N D:LEU691 4.0 41.4 1.0
CA D:SER690 4.2 46.1 1.0
NZ C:LYS335 4.2 34.2 1.0
CZ3 C:TRP338 4.2 31.6 1.0
CA D:LEU691 4.3 41.7 1.0
N D:SER690 4.5 50.9 1.0
O D:HOH742 4.6 49.9 1.0
CE3 C:TRP338 4.6 27.2 1.0
CB C:LYS335 4.8 27.1 1.0
OG D:SER690 4.9 55.0 1.0
CG D:LEU691 4.9 39.6 1.0
O C:HOH909 4.9 52.2 1.0

Chlorine binding site 7 out of 8 in 1i7w

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Chlorine binding site 7 out of 8 in the Beta-Catenin/Phosphorylated E-Cadherin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Beta-Catenin/Phosphorylated E-Cadherin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl706

b:41.3
occ:1.00
O C:HOH1005 3.3 52.4 1.0
N C:GLN322 3.4 33.8 1.0
CD C:PRO321 3.6 37.0 1.0
O C:HOH865 3.7 50.4 1.0
CA C:GLY319 3.7 38.8 1.0
CB C:PRO321 3.7 36.0 1.0
CB C:GLN322 3.8 37.6 1.0
C C:GLY319 3.8 36.9 1.0
O C:GLY319 3.9 34.3 1.0
N C:PRO321 4.0 35.0 1.0
CG C:PRO321 4.0 36.3 1.0
CA C:GLN322 4.2 37.4 1.0
CA C:PRO321 4.2 34.2 1.0
C C:PRO321 4.3 35.1 1.0
N C:GLY320 4.4 34.0 1.0
CB C:ALA356 4.6 34.8 1.0
O C:LEU316 4.6 38.2 1.0
N C:GLY319 4.8 38.7 1.0
CD1 C:LEU316 4.8 37.6 1.0
C C:GLY320 4.8 34.6 1.0

Chlorine binding site 8 out of 8 in 1i7w

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Chlorine binding site 8 out of 8 in the Beta-Catenin/Phosphorylated E-Cadherin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Beta-Catenin/Phosphorylated E-Cadherin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl708

b:49.2
occ:1.00
O A:HOH923 3.0 64.3 1.0
CA C:GLY268 3.2 31.6 1.0
O A:HOH924 3.2 60.3 1.0
N C:GLY268 3.2 34.2 1.0
C C:GLY268 3.3 33.0 1.0
N C:LYS270 3.3 32.0 1.0
N C:MET271 3.3 34.5 0.5
N C:MET271 3.3 35.1 0.5
CB C:LYS270 3.5 33.7 1.0
N C:ALA269 3.7 32.9 1.0
O C:GLY268 3.7 35.4 1.0
CD A:GLN440 3.7 69.2 1.0
CA C:LYS270 3.8 34.8 1.0
OE1 A:GLN440 3.9 72.8 1.0
NE2 A:GLN440 3.9 70.0 1.0
CB C:MET271 4.0 32.9 0.5
C C:LYS270 4.0 37.0 1.0
CE C:LYS270 4.0 44.0 1.0
CG A:GLN440 4.1 62.5 1.0
CB C:MET271 4.2 35.8 0.5
C C:ALA269 4.2 28.3 1.0
CA C:MET271 4.2 34.3 0.5
CG C:LYS270 4.3 33.9 1.0
CA C:MET271 4.3 34.5 0.5
C C:GLU267 4.5 36.6 1.0
CA C:ALA269 4.5 31.3 1.0
O C:HOH755 4.7 32.1 1.0
CD C:LYS270 4.8 36.2 1.0

Reference:

A.H.Huber, W.I.Weis. The Structure of the Beta-Catenin/E-Cadherin Complex and the Molecular Basis of Diverse Ligand Recognition By Beta-Catenin. Cell(Cambridge,Mass.) V. 105 391 2001.
ISSN: ISSN 0092-8674
PubMed: 11348595
DOI: 10.1016/S0092-8674(01)00330-0
Page generated: Sat Dec 12 08:37:45 2020

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