Chlorine in PDB 4ufr: Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2)

The structure of Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2), PDB code: 4ufr was solved by M.Zebisch, E.Y.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	110.67 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	205.148, 59.777, 112.210, 90.00, 99.51, 90.00
R / Rfree (%)	20.805 / 26.172

The binding sites of Chlorine atom in the Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2) (pdb code 4ufr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2), PDB code: 4ufr:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1545 b:59.1 occ:1.00 OH A:TYR361 3.0 80.8 1.0 OH C:TYR361 3.1 56.4 1.0 NH1 C:ARG382 3.5 42.2 1.0 NH1 A:ARG382 3.6 43.7 1.0 CZ A:TYR361 4.3 69.8 1.0 CE1 C:HIS383 4.4 41.5 1.0 CE1 A:HIS383 4.4 46.4 1.0 CD C:ARG382 4.4 38.9 1.0 CZ C:TYR361 4.4 54.1 1.0 CD A:ARG382 4.5 45.8 1.0 CZ C:ARG382 4.7 43.2 1.0 CZ A:ARG382 4.8 44.9 1.0 ND1 C:HIS383 4.8 43.1 1.0 ND1 A:HIS383 4.8 48.8 1.0 CE2 C:TYR361 4.9 50.4 1.0

Chlorine binding site 2 out of 6 in the Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1546 b:57.6 occ:1.00 OG1 A:THR131 3.2 54.6 1.0 NE2 A:HIS128 3.6 59.4 1.0 CB A:THR131 3.8 57.5 1.0 N A:THR131 3.9 51.8 1.0 CE1 A:TYR104 4.0 83.8 1.0 O A:HOH2009 4.0 44.0 1.0 CE1 A:HIS128 4.4 57.9 1.0 CD1 A:TYR104 4.5 80.0 1.0 CA A:THR131 4.5 55.4 1.0 CD2 A:HIS128 4.6 58.7 1.0 CA A:PRO130 4.8 45.8 1.0 C A:PRO130 4.9 47.4 1.0 O A:ILE105 5.0 47.5 1.0

Chlorine binding site 3 out of 6 in the Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1547 b:84.4 occ:1.00 NZ A:LYS378 3.3 86.5 1.0 CE A:LYS426 3.7 63.5 1.0 CD A:LYS426 3.8 59.0 1.0 CB A:SER402 3.9 43.0 1.0 OG A:SER402 4.0 43.7 1.0 CE A:LYS378 4.3 80.7 1.0 CD A:LYS378 4.3 73.7 1.0 NZ A:LYS426 4.4 68.5 1.0 O A:HOH2072 4.9 49.5 1.0

Chlorine binding site 4 out of 6 in the Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1142 b:61.2 occ:1.00 NE B:ARG95 3.4 95.4 1.0 NH2 B:ARG92 3.9 55.6 1.0 N B:ARG95 3.9 72.8 1.0 CD B:ARG95 4.0 94.7 1.0 NH1 B:ARG92 4.0 53.8 1.0 CA B:ALA94 4.3 62.1 1.0 CZ B:ARG95 4.4 97.0 1.0 CZ B:ARG92 4.4 54.3 1.0 CG B:ARG95 4.5 90.3 1.0 CB B:ALA94 4.5 62.4 1.0 NH2 B:ARG95 4.5 99.9 1.0 C B:ALA94 4.6 67.0 1.0 CB B:ARG95 4.7 83.5 1.0 CA B:ARG95 4.9 76.8 1.0

Chlorine binding site 5 out of 6 in the Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1545 b:54.0 occ:1.00 OG1 C:THR131 3.3 61.5 1.0 CB C:THR131 3.8 60.2 1.0 CE1 C:TYR104 3.8 94.6 1.0 CE1 C:HIS128 3.9 56.1 1.0 N C:THR131 4.0 52.6 1.0 O C:HOH2006 4.0 37.5 1.0 CD1 C:TYR104 4.2 91.0 1.0 CA C:THR131 4.6 56.1 1.0 CA C:PRO130 4.7 49.8 1.0 NE2 C:HIS128 4.7 57.4 1.0 O C:ILE105 4.8 53.4 1.0 ND1 C:HIS128 4.9 55.7 1.0 C C:PRO130 4.9 49.3 1.0 CZ C:TYR104 5.0 98.4 1.0 CG2 C:THR131 5.0 61.7 1.0

Chlorine binding site 6 out of 6 in the Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Ectodomain of LGR5 in Complex with R-Spondin-2 (FU1FU2) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1142 b:59.7 occ:1.00 NH2 D:ARG92 3.3 54.8 1.0 N D:ARG95 4.0 66.4 1.0 NH1 D:ARG92 4.0 55.9 1.0 CZ D:ARG92 4.1 55.0 1.0 CA D:ALA94 4.3 58.4 1.0 CB D:ALA94 4.4 58.7 1.0 CB D:ARG95 4.5 78.4 1.0 C D:ALA94 4.7 61.6 1.0 CA D:ARG95 4.9 72.5 1.0

M.Zebisch, E.Y.Jones. Crystal Structure of R-Spondin 2 in Complex with the Ectodomains of Its Receptors LGR5 and ZNRF3. J.Struct.Biol. V. 191 149 2015.
ISSN: ISSN 1047-8477
PubMed: 26123262
DOI: 10.1016/J.JSB.2015.05.008