Chlorine in PDB 1o6t: Internalin (Inla, Listeria Monocytogenes) - Functional Domain, Uncomplexed

The structure of Internalin (Inla, Listeria Monocytogenes) - Functional Domain, Uncomplexed, PDB code: 1o6t 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)	91.29 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.919, 55.881, 97.780, 90.00, 113.07, 90.00
R / Rfree (%)	13.1 / 16.1

The structure of Internalin (Inla, Listeria Monocytogenes) - Functional Domain, Uncomplexed also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Chlorine atom in the Internalin (Inla, Listeria Monocytogenes) - Functional Domain, Uncomplexed (pdb code 1o6t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Internalin (Inla, Listeria Monocytogenes) - Functional Domain, Uncomplexed, PDB code: 1o6t:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Internalin (Inla, Listeria Monocytogenes) - Functional Domain, Uncomplexed


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Internalin (Inla, Listeria Monocytogenes) - Functional Domain, Uncomplexed within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1499 b:34.5 occ:0.50 O A:HOH2444 2.9 22.8 0.5 ND2 A:ASN309 3.3 27.1 1.0 O A:HOH2446 3.3 32.8 1.0 CB A:ASN309 3.9 17.3 1.0 CG A:ASN309 4.1 21.4 1.0 O A:HOH2449 4.6 26.2 0.5 OG A:SER308 4.9 18.4 1.0

Chlorine binding site 2 out of 2 in the Internalin (Inla, Listeria Monocytogenes) - Functional Domain, Uncomplexed


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Internalin (Inla, Listeria Monocytogenes) - Functional Domain, Uncomplexed within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1500 b:22.9 occ:0.50 O4 A:SO41504 0.4 36.5 0.5 S A:SO41504 1.1 35.4 0.5 O3 A:SO41504 2.0 36.2 0.5 O1 A:SO41504 2.1 36.8 0.5 O2 A:SO41504 2.2 37.4 0.5 O A:HOH2687 2.7 24.2 0.5 N A:GLN82 3.1 17.2 0.3 N A:GLN82 3.1 17.4 0.3 N A:GLN82 3.1 17.6 0.3 NZ A:LYS56 3.2 21.0 1.0 CE A:LYS56 3.6 17.7 1.0 O A:GLN82 3.8 16.7 0.3 CA A:LEU81 3.8 17.6 1.0 O A:GLN82 3.8 16.5 0.3 O A:GLN82 3.8 17.1 0.3 CB A:GLN82 3.9 18.9 0.3 CA A:GLN82 3.9 17.3 0.3 CA A:GLN82 3.9 17.7 0.3 C A:LEU81 3.9 18.9 1.0 CA A:GLN82 3.9 18.1 0.3 CB A:GLN82 3.9 19.6 0.3 CB A:GLN82 4.0 20.4 0.3 CG A:GLN82 4.0 20.8 0.3 CG2 A:VAL60 4.1 17.2 1.0 CD1 A:LEU81 4.2 21.8 1.0 C A:GLN82 4.2 16.7 0.3 C A:GLN82 4.2 16.4 0.3 C A:GLN82 4.2 16.9 0.3 O A:THR80 4.2 18.1 0.7 O A:THR80 4.3 17.2 0.3 O A:HOH2034 4.5 24.2 1.0 O A:HOH2686 4.6 43.1 1.0 N A:LEU81 4.6 16.2 1.0 NE2 A:GLN82 4.6 25.7 0.3 CG A:GLN82 4.7 21.9 0.3 C A:THR80 4.8 17.6 0.3 C A:THR80 4.8 19.0 0.7 OE1 A:GLN82 4.9 24.8 0.3 CB A:LEU81 4.9 20.8 1.0 CD A:GLN82 4.9 22.7 0.3

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