Chlorine in PDB 6tpl: D0-D1 Domain of Intimin

The structure of D0-D1 Domain of Intimin, PDB code: 6tpl was solved by J.Weikum, J.C.Leo, J.P.Morth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.77 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	33.737, 45.325, 67.561, 97.08, 97.55, 99.9
R / Rfree (%)	18.7 / 23.1

The structure of D0-D1 Domain of Intimin also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the D0-D1 Domain of Intimin (pdb code 6tpl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the D0-D1 Domain of Intimin, PDB code: 6tpl:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the D0-D1 Domain of Intimin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of D0-D1 Domain of Intimin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl804 b:21.6 occ:1.00 H A:THR725 2.5 16.5 1.0 HA A:SER724 2.8 15.4 1.0 O A:HOH966 2.8 31.2 1.0 HA2 A:GLY703 3.1 16.9 1.0 O A:HOH909 3.2 25.3 1.0 O A:HOH993 3.2 13.9 1.0 HG23 A:THR725 3.2 18.0 1.0 N A:THR725 3.3 13.8 1.0 OG1 A:THR725 3.5 15.1 1.0 HB2 A:LYS704 3.6 24.9 1.0 HG1 A:THR725 3.7 18.1 1.0 CA A:SER724 3.7 12.8 1.0 CA A:GLY703 4.0 14.1 1.0 C A:SER724 4.0 13.3 1.0 H A:LYS704 4.0 16.6 1.0 CG2 A:THR725 4.1 15.0 1.0 N A:LYS704 4.1 13.8 1.0 HB3 A:LYS704 4.1 24.9 1.0 CB A:THR725 4.2 15.6 1.0 C A:GLY703 4.2 13.8 1.0 O A:THR723 4.3 12.4 1.0 CB A:LYS704 4.3 20.8 1.0 CA A:THR725 4.3 15.2 1.0 OG A:SER724 4.4 12.9 1.0 HG21 A:THR725 4.5 18.0 1.0 H A:THR726 4.5 16.9 1.0 HA3 A:GLY703 4.5 16.9 1.0 CB A:SER724 4.5 12.5 1.0 N A:SER724 4.6 12.6 1.0 H A:GLY703 4.6 16.8 1.0 HG1 A:THR723 4.6 15.8 1.0 HB2 A:SER724 4.7 15.0 1.0 HG22 A:THR725 4.7 18.0 1.0 C A:THR723 4.8 12.4 1.0 CA A:LYS704 4.8 13.9 1.0 HG A:SER724 4.8 15.4 1.0 N A:GLY703 4.8 14.0 1.0 O A:GLY703 4.9 13.8 1.0 HD2 A:LYS704 5.0 32.4 1.0

Chlorine binding site 2 out of 3 in the D0-D1 Domain of Intimin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of D0-D1 Domain of Intimin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl805 b:23.1 occ:1.00 HD22 A:ASN648 2.9 33.1 1.0 O A:HOH912 2.9 19.4 1.0 O A:HOH1019 3.0 11.2 1.0 HE2 A:LYS664 3.0 29.3 1.0 HG2 A:LYS664 3.1 18.9 1.0 HG22 A:THR568 3.2 19.1 1.0 O A:HOH1114 3.2 11.8 1.0 O A:HOH1247 3.5 56.0 1.0 HB3 A:ASN648 3.5 20.6 1.0 HG21 A:THR568 3.6 19.1 1.0 ND2 A:ASN648 3.6 27.6 1.0 HB2 A:ASN648 3.7 20.6 1.0 CG2 A:THR568 3.9 15.9 1.0 CE A:LYS664 3.9 24.4 1.0 CG A:LYS664 3.9 15.7 1.0 CB A:ASN648 4.0 17.2 1.0 HG3 A:LYS664 4.1 18.9 1.0 HE3 A:LYS664 4.1 29.3 1.0 O A:HOH1058 4.1 13.0 1.0 HD21 A:ASN648 4.2 33.1 1.0 CG A:ASN648 4.3 21.5 1.0 CD A:LYS664 4.4 20.3 1.0 HB A:THR568 4.5 17.2 1.0 HD3 A:LYS664 4.6 24.4 1.0 HG23 A:THR568 4.6 19.1 1.0 O A:ILE663 4.6 10.1 1.0 O A:HOH1037 4.6 16.2 1.0 O A:ALA649 4.6 11.1 1.0 HB2 A:GLU662 4.8 20.1 1.0 CB A:THR568 4.8 14.3 1.0 HA A:LYS664 4.9 12.0 1.0 O A:HOH926 4.9 36.5 1.0 O A:HOH1103 4.9 9.9 1.0

Chlorine binding site 3 out of 3 in the D0-D1 Domain of Intimin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of D0-D1 Domain of Intimin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:24.2 occ:1.00 O B:HOH1050 2.9 11.7 1.0 O B:HOH984 3.1 11.6 1.0 O B:HOH1091 3.1 21.3 1.0 O B:HOH1126 3.1 28.3 1.0 HG2 B:PRO746 3.2 22.6 1.0 HG21 B:THR668 3.5 14.4 1.0 O B:HOH1107 3.5 28.6 1.0 HG23 B:THR668 3.5 14.4 1.0 HB3 B:PRO746 3.6 19.1 1.0 CG B:PRO746 3.8 18.9 1.0 HB2 B:PRO746 3.8 19.1 1.0 CG2 B:THR668 3.8 12.0 1.0 HG22 B:THR668 3.9 14.4 1.0 HG3 B:PRO746 3.9 22.6 1.0 CB B:PRO746 3.9 15.9 1.0 HB3 B:ALA665 4.1 13.0 1.0 HD21 B:ASN648 4.1 45.6 1.0 H B:ALA665 4.3 13.8 1.0 OD1 B:ASN648 4.4 36.9 1.0 O B:ALA665 4.4 10.4 1.0 O B:HOH1087 4.5 29.3 1.0 ND2 B:ASN648 4.6 38.0 1.0 CG B:ASN648 4.7 33.8 1.0 O B:HOH999 4.7 14.3 1.0 O B:HOH1105 4.8 22.6 1.0

J.Weikum, A.V.Kulakova, G.Tesei, L.V.Jaegerum, M.Skepoe, P.Harris, J.C.Leo, J.P.Morth. Structural Similarly Between the Intimin Stalk Modules D0 and D00 with E-Cadherin Suggest Functional Equivalence. To Be Published.