Chlorine in PDB 1e42: BETA2-Adaptin Appendage Domain, From Clathrin Adaptor AP2

The structure of BETA2-Adaptin Appendage Domain, From Clathrin Adaptor AP2, PDB code: 1e42 was solved by D.J.Owen, P.R.Evans, H.T.Mcmahon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.42 / 1.7
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.040, 124.590, 67.640, 90.00, 124.18, 90.00
R / Rfree (%)	19.6 / 24.6

The structure of BETA2-Adaptin Appendage Domain, From Clathrin Adaptor AP2 also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Magnesium	(Mg)	4 atoms

The binding sites of Chlorine atom in the BETA2-Adaptin Appendage Domain, From Clathrin Adaptor AP2 (pdb code 1e42). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the BETA2-Adaptin Appendage Domain, From Clathrin Adaptor AP2, PDB code: 1e42:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the BETA2-Adaptin Appendage Domain, From Clathrin Adaptor AP2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of BETA2-Adaptin Appendage Domain, From Clathrin Adaptor AP2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl971 b:25.3 occ:1.00 O A:HOH2060 3.0 37.0 1.0 O A:HOH2141 3.2 23.7 1.0 N A:LEU770 3.2 23.9 1.0 N A:ILE755 3.3 16.6 1.0 O A:HOH2096 3.4 20.7 0.5 O A:HOH2102 3.5 33.1 1.0 CA A:ALA754 3.6 19.5 1.0 CA A:PRO769 3.7 21.0 1.0 CB A:LEU770 3.8 28.0 1.0 O A:ILE755 3.8 18.2 1.0 CB A:ALA754 3.9 19.7 1.0 C A:ALA754 3.9 17.1 1.0 C A:PRO769 4.0 22.6 1.0 CG2 A:ILE755 4.1 18.9 1.0 CA A:LEU770 4.2 27.4 1.0 CB A:PRO769 4.2 22.0 1.0 CA A:ILE755 4.4 16.8 1.0 C A:ILE755 4.6 18.2 1.0 O A:PHE753 4.7 24.0 1.0 CB A:ILE755 4.7 20.5 1.0 N A:ALA754 4.8 19.5 1.0 N A:PRO769 4.9 21.1 1.0 O A:THR768 4.9 21.5 1.0 O A:HOH2101 4.9 35.3 1.0 O B:HOH2063 5.0 41.0 1.0 O A:HOH2148 5.0 31.8 0.5

Chlorine binding site 2 out of 4 in the BETA2-Adaptin Appendage Domain, From Clathrin Adaptor AP2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of BETA2-Adaptin Appendage Domain, From Clathrin Adaptor AP2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl972 b:26.1 occ:1.00 NE2 B:GLN756 3.4 18.9 1.0 O B:HOH2091 3.5 35.5 1.0 O B:HOH2126 3.6 43.1 1.0 O B:HOH2109 3.8 48.1 1.0 CD B:GLN756 4.3 17.0 1.0 OE1 B:GLN756 4.3 17.1 1.0 O B:HOH2278 4.5 21.8 1.0 O B:HOH2166 4.5 31.2 1.0 O B:HOH2127 4.7 24.1 1.0

Chlorine binding site 3 out of 4 in the BETA2-Adaptin Appendage Domain, From Clathrin Adaptor AP2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of BETA2-Adaptin Appendage Domain, From Clathrin Adaptor AP2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl971 b:22.0 occ:1.00 O B:HOH2163 3.1 20.9 1.0 N B:ILE755 3.2 15.6 1.0 N B:LEU770 3.2 16.9 1.0 O B:HOH2090 3.4 50.4 1.0 CA B:ALA754 3.6 18.0 1.0 O B:HOH2122 3.6 31.8 1.0 CA B:PRO769 3.6 18.9 1.0 O B:ILE755 3.7 16.8 1.0 CG2 B:ILE755 3.9 21.8 1.0 CB B:ALA754 3.9 20.3 1.0 C B:ALA754 3.9 19.2 1.0 CB B:LEU770 3.9 23.7 1.0 C B:PRO769 4.0 20.4 1.0 CB B:PRO769 4.1 20.2 1.0 CA B:ILE755 4.2 16.4 1.0 CA B:LEU770 4.2 19.7 1.0 O B:HOH2169 4.4 36.0 1.0 O B:HOH2121 4.4 36.9 1.0 C B:ILE755 4.4 19.1 1.0 CB B:ILE755 4.6 17.6 1.0 O B:HOH2087 4.7 58.2 1.0 O B:PHE753 4.8 19.8 1.0 N B:ALA754 4.9 19.5 1.0 N B:PRO769 4.9 16.9 1.0 O B:THR768 4.9 18.3 1.0

Chlorine binding site 4 out of 4 in the BETA2-Adaptin Appendage Domain, From Clathrin Adaptor AP2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of BETA2-Adaptin Appendage Domain, From Clathrin Adaptor AP2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl972 b:24.6 occ:1.00 N B:VAL794 3.2 15.8 1.0 O B:HOH2229 3.4 46.1 1.0 O B:HOH2142 3.4 42.7 1.0 CA B:PRO793 3.7 16.2 1.0 O B:VAL794 3.9 19.1 1.0 C B:PRO793 3.9 16.2 1.0 CA B:VAL794 4.1 14.1 1.0 CB B:VAL794 4.2 16.1 1.0 CB B:PRO793 4.3 19.4 1.0 C B:VAL794 4.5 19.4 1.0 O B:HOH2232 4.5 20.3 1.0 CG2 B:VAL794 4.6 18.0 1.0 O B:HOH2146 4.6 26.2 1.0 O B:GLY792 4.7 14.1 1.0 N B:PRO793 4.8 13.7 1.0 O B:HOH2227 4.9 39.5 1.0

D.J.Owen, Y.Vallis, B.M.F.Pearse, H.T.Mcmahon, P.R.Evans. The Structure and Function of the BETA2-Adaptin Appendage Domain Embo J. V. 19 4216 2000.
ISSN: ISSN 0261-4189
PubMed: 10944104
DOI: 10.1093/EMBOJ/19.16.4216