Chlorine in PDB 4a0p: Crystal Structure of LRP6P3E3P4E4

The structure of Crystal Structure of LRP6P3E3P4E4, PDB code: 4a0p was solved by S.Chen, T.Malinauskas, A.R.Aricescu, C.Siebold, E.Y.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.09 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	169.815, 42.699, 119.879, 90.00, 97.49, 90.00
R / Rfree (%)	18.135 / 21.098

The structure of Crystal Structure of LRP6P3E3P4E4 also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of LRP6P3E3P4E4 (pdb code 4a0p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of LRP6P3E3P4E4, PDB code: 4a0p:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of LRP6P3E3P4E4


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 LRP6P3E3P4E4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1355 b:16.9 occ:1.00 O A:HOH2376 3.1 19.9 1.0 O A:HOH2437 3.2 20.1 1.0 O A:HOH2343 3.2 32.5 1.0 O A:HOH2342 3.3 17.2 1.0 O A:HOH2344 3.3 23.6 1.0 N A:LEU1109 3.3 15.4 1.0 CA A:ALA1108 3.5 14.7 1.0 CB A:ALA1108 3.6 14.7 1.0 O A:LEU1109 3.6 17.0 1.0 CG1 A:VAL1063 3.9 16.8 1.0 C A:ALA1108 3.9 15.6 1.0 O A:HOH2377 4.0 31.6 1.0 O A:HOH2241 4.3 32.1 1.0 CA A:LEU1109 4.4 15.7 1.0 C A:LEU1109 4.4 16.6 1.0 O A:HOH2375 4.6 18.9 1.0 CG2 A:VAL1063 4.6 21.2 1.0 O A:LEU1107 4.7 15.4 1.0 CA A:CA1360 4.8 16.7 1.0 OG1 A:THR1151 4.8 19.1 1.0 N A:ALA1108 4.8 14.3 1.0 CG A:LEU1109 4.9 23.4 1.0 CB A:VAL1063 4.9 18.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of LRP6P3E3P4E4


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 LRP6P3E3P4E4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1356 b:21.8 occ:1.00 OG A:SER1099 2.8 27.1 1.0 N A:PHE1098 3.2 19.3 1.0 O A:HOH2364 3.2 21.4 1.0 N A:SER1099 3.2 20.8 1.0 CA A:PHE1097 3.7 17.9 1.0 NH1 A:ARG1136 3.7 17.6 1.0 O A:HOH2336 3.8 42.0 1.0 CB A:SER1099 3.8 25.6 1.0 C A:PHE1097 3.9 18.4 1.0 CD1 A:PHE1098 3.9 23.3 1.0 CA A:SER1099 4.0 21.5 1.0 CD1 A:PHE1097 4.1 18.8 1.0 CE1 A:PHE1098 4.1 27.5 1.0 CB A:PHE1097 4.1 17.5 1.0 C A:PHE1098 4.1 20.7 1.0 CA A:PHE1098 4.1 20.1 1.0 CG A:PHE1098 4.1 22.0 1.0 O A:SER1099 4.2 20.0 1.0 CZ A:PHE1098 4.4 29.3 1.0 CD2 A:PHE1098 4.5 29.3 1.0 O A:LEU1096 4.5 18.3 1.0 C A:SER1099 4.5 20.9 1.0 CE2 A:PHE1098 4.6 26.3 1.0 CG A:PHE1097 4.6 17.3 1.0 CB A:PHE1098 4.7 21.1 1.0 N A:PHE1097 4.9 17.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of LRP6P3E3P4E4


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 LRP6P3E3P4E4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1357 b:27.8 occ:1.00 O A:HOH2137 3.0 46.1 1.0 NH1 A:ARG825 3.1 29.9 1.0 ND2 A:ASN789 3.3 37.3 1.0 CD A:PRO788 3.7 28.3 1.0 CB A:ASN789 3.7 34.9 1.0 N A:ASN789 3.8 32.5 1.0 CG A:ASN789 4.0 41.0 1.0 CG1 A:VAL787 4.1 24.5 1.0 CG A:PRO788 4.1 33.5 1.0 N A:PRO788 4.3 27.3 1.0 CA A:ASN789 4.3 33.7 1.0 CZ A:ARG825 4.3 28.1 1.0 O A:ASN789 4.5 33.7 1.0 CD A:ARG825 4.5 30.0 1.0 CA A:VAL787 4.8 24.3 1.0 C A:ASN789 4.8 32.9 1.0 C A:VAL787 4.8 24.8 1.0 C A:PRO788 4.9 32.3 1.0 NE A:ARG825 4.9 29.8 1.0 O A:GLY822 4.9 31.4 1.0

S.Chen, D.Bubeck, B.T.Macdonald, W.X.Liang, J.H.Mao, T.Malinauskas, O.Llorca, A.R.Aricescu, C.Siebold, X.He, E.Y.Jones. Structural and Functional Studies of LRP6 Ectodomain Reveal A Platform For Wnt Signaling. Dev.Cell V. 21 848 2011.
ISSN: ISSN 1534-5807
PubMed: 22000855
DOI: 10.1016/J.DEVCEL.2011.09.007