Chlorine in PDB 1o6s: Internalin (Listeria Monocytogenes) / E-Cadherin (Human) Recognition Complex

The structure of Internalin (Listeria Monocytogenes) / E-Cadherin (Human) Recognition Complex, PDB code: 1o6s was solved by W.-D.Schubert, C.Urbanke, T.Ziehm, V.Beier, M.P.Machner, E.Domann, J.Wehland, T.Chakraborty, D.W.Heinz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.01 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.378, 86.859, 110.723, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 22.1

The structure of Internalin (Listeria Monocytogenes) / E-Cadherin (Human) Recognition Complex also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Internalin (Listeria Monocytogenes) / E-Cadherin (Human) Recognition Complex (pdb code 1o6s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Internalin (Listeria Monocytogenes) / E-Cadherin (Human) Recognition Complex, PDB code: 1o6s:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Internalin (Listeria Monocytogenes) / E-Cadherin (Human) Recognition Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Internalin (Listeria Monocytogenes) / E-Cadherin (Human) Recognition Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1498 b:29.0 occ:1.00 O B:HOH2030 2.9 36.1 1.0 O A:HOH2233 2.9 24.9 1.0 O A:HOH2268 3.1 20.6 1.0 ND2 A:ASN325 3.2 17.3 1.0 NZ B:LYS25 3.2 37.1 1.0 CB A:ALA281 3.9 18.0 1.0 O A:HOH2295 4.0 28.1 1.0 CA A:GLY303 4.0 16.4 1.0 CG A:ASN325 4.1 16.5 1.0 OD1 A:ASN325 4.1 17.6 1.0 C A:GLY303 4.1 16.6 1.0 ND2 A:ASN282 4.1 26.5 1.0 CE B:LYS25 4.1 37.0 1.0 CD B:LYS25 4.2 34.0 1.0 O A:HOH2296 4.2 24.9 1.0 OE1 A:GLU326 4.2 24.6 1.0 O A:GLY303 4.3 16.1 1.0 OE1 A:GLU323 4.3 30.7 1.0 OD1 A:ASN282 4.5 23.3 1.0 OH A:TYR347 4.6 18.6 1.0 CG A:ASN282 4.6 22.8 1.0 N A:GLY303 4.7 16.8 1.0 CA A:CA1497 4.7 28.0 1.0 N A:ALA304 4.7 15.8 1.0 CB A:ALA304 4.7 16.6 1.0

Chlorine binding site 2 out of 3 in the Internalin (Listeria Monocytogenes) / E-Cadherin (Human) Recognition Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Internalin (Listeria Monocytogenes) / E-Cadherin (Human) Recognition Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1499 b:23.0 occ:0.80 O B:HOH2007 3.0 28.9 1.0 OG A:SER389 3.0 21.7 1.0 N A:GLY391 3.1 17.9 1.0 O A:HOH2354 3.2 22.3 0.7 N A:ALA390 3.4 17.8 1.0 CA A:GLY411 3.6 17.3 1.0 O A:GLY411 3.6 19.0 1.0 CD2 A:TYR369 3.7 20.7 1.0 C A:SER389 3.7 17.4 1.0 CA A:GLY391 3.7 18.4 1.0 C A:GLY411 3.7 17.4 1.0 CA A:SER389 3.8 18.4 1.0 CB A:SER389 4.0 17.6 1.0 C A:ALA390 4.1 18.4 1.0 CB A:TYR369 4.2 19.3 1.0 CA A:ALA390 4.3 16.9 1.0 O B:HOH2006 4.4 31.1 1.0 O B:GLY0 4.4 21.9 1.0 CG A:TYR369 4.4 19.9 1.0 OD1 A:ASN413 4.4 15.1 0.2 O A:SER389 4.4 19.0 1.0 O B:HOH2011 4.5 22.9 1.0 N A:GLY411 4.5 17.1 1.0 CD2 B:LEU-1 4.5 25.9 1.0 CE2 A:TYR369 4.5 24.9 1.0 N A:LEU412 4.6 18.2 1.0 O B:HOH2033 4.7 20.8 1.0 O A:HOH2331 4.7 15.9 1.0 C A:GLY391 4.8 18.5 1.0 O A:HOH2356 4.9 30.8 1.0 O A:GLY391 5.0 17.7 1.0 CA A:TYR369 5.0 18.9 1.0

Chlorine binding site 3 out of 3 in the Internalin (Listeria Monocytogenes) / E-Cadherin (Human) Recognition Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Internalin (Listeria Monocytogenes) / E-Cadherin (Human) Recognition Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1500 b:31.4 occ:1.00 N A:GLN82 3.2 25.6 0.5 NZ A:LYS56 3.2 24.8 1.0 N A:GLN82 3.2 26.4 0.5 O A:HOH2035 3.2 33.6 1.0 O A:HOH2036 3.4 40.6 1.0 CE A:LYS56 3.7 28.9 1.0 CB A:GLN82 3.8 25.8 0.5 CA A:LEU81 4.0 25.8 1.0 CB A:GLN82 4.0 27.7 0.5 O A:GLN82 4.0 26.4 0.5 CA A:GLN82 4.0 25.5 0.5 CA A:GLN82 4.0 26.8 0.5 CG A:GLN82 4.0 24.3 0.5 C A:LEU81 4.1 26.3 1.0 O A:GLN82 4.1 25.8 0.5 CD1 A:LEU81 4.2 29.2 1.0 CG2 A:VAL60 4.2 31.3 1.0 C A:GLN82 4.3 26.6 0.5 C A:GLN82 4.4 25.9 0.5 O A:HOH2020 4.4 30.7 1.0 NE2 A:GLN82 4.6 22.0 0.5 O A:THR80 4.6 26.0 0.5 O A:HOH2017 4.6 42.9 1.0 O A:THR80 4.7 26.3 0.5 CD A:GLN82 4.8 21.6 0.5 N A:LEU81 4.8 25.7 1.0 CB A:LEU81 5.0 26.1 1.0

W.-D.Schubert, C.Urbanke, T.Ziehm, V.Beier, M.P.Machner, E.Domann, J.Wehland, T.Chakraborty, D.W.Heinz. Structure of Internalin, A Major Invasion Protein of Listeria Monocytogenes, in Complex with Its Human Receptor E-Cadherin Cell(Cambridge,Mass.) V. 111 825 2002.
ISSN: ISSN 0092-8674
PubMed: 12526809
DOI: 10.1016/S0092-8674(02)01136-4