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Chlorine in PDB 4a0p: Crystal Structure of LRP6P3E3P4E4

Protein crystallography data

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

Other elements in 4a0p:

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

Calcium (Ca) 3 atoms

Chlorine Binding Sites:

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 4a0p

Go back to Chlorine Binding Sites List in 4a0p
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 4a0p

Go back to Chlorine Binding Sites List in 4a0p
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 4a0p

Go back to Chlorine Binding Sites List in 4a0p
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

Reference:

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
Page generated: Sat Dec 12 10:22:42 2020

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