Chlorine in PDB 2y5p: B-Repeat of Listeria Monocytogenes Inlb (Internalin B)

The structure of B-Repeat of Listeria Monocytogenes Inlb (Internalin B), PDB code: 2y5p was solved by M.Ebbes, H.H.Niemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.00 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	28.610, 58.340, 158.070, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 19.6

The structure of B-Repeat of Listeria Monocytogenes Inlb (Internalin B) also contains other interesting chemical elements:

Calcium

(Ca)

8 atoms

The binding sites of Chlorine atom in the B-Repeat of Listeria Monocytogenes Inlb (Internalin B) (pdb code 2y5p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the B-Repeat of Listeria Monocytogenes Inlb (Internalin B), PDB code: 2y5p:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the B-Repeat of Listeria Monocytogenes Inlb (Internalin B)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of B-Repeat of Listeria Monocytogenes Inlb (Internalin B) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1394 b:27.9 occ:0.70 O C:HOH2069 2.3 28.1 1.0 O C:HOH2032 2.8 32.6 1.0 N C:ARG343 3.1 17.7 1.0 O C:HOH2028 3.1 22.4 1.0 CA C:THR342 3.4 17.2 1.0 CB C:THR342 3.6 17.1 1.0 O C:HOH2030 3.7 30.5 0.5 C C:THR342 3.7 15.6 1.0 CB C:ARG343 4.1 19.4 1.0 CG2 C:THR342 4.1 19.0 1.0 CA C:ARG343 4.1 17.5 1.0 CG C:ARG343 4.4 23.5 1.0 CE2 C:TYR376 4.5 19.4 1.0 O C:HOH2067 4.5 30.0 1.0 OG1 C:THR342 4.7 18.1 1.0 O C:GLY341 4.7 17.3 1.0 N C:THR342 4.7 16.3 1.0 O C:ARG343 4.8 19.4 1.0 NE C:ARG343 4.8 28.7 1.0 CD2 C:TYR376 4.9 19.1 1.0 O C:THR342 5.0 17.1 1.0 C C:ARG343 5.0 16.9 1.0 O C:HOH2068 5.0 33.5 1.0

Chlorine binding site 2 out of 3 in the B-Repeat of Listeria Monocytogenes Inlb (Internalin B)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of B-Repeat of Listeria Monocytogenes Inlb (Internalin B) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1395 b:16.4 occ:1.00 N C:ASP381 3.2 13.4 1.0 CA C:ASN380 3.6 12.7 1.0 CB C:ASN380 3.8 14.0 1.0 C C:ASN380 3.9 13.9 1.0 O C:HOH2105 4.0 34.2 1.0 CG C:ASP381 4.0 16.7 1.0 CB C:ASP381 4.0 15.1 1.0 OD2 C:ASP381 4.0 20.3 1.0 CE2 C:TYR323 4.1 15.8 1.0 CD2 C:TYR323 4.1 13.5 1.0 CA C:ASP381 4.2 13.8 1.0 OD1 C:ASP381 4.4 16.8 1.0 O C:ASP381 4.7 15.8 1.0 O C:HOH2112 4.7 43.0 1.0 O C:GLY379 4.9 13.9 1.0 N C:ASN380 4.9 12.7 1.0 CA C:CA1393 5.0 14.9 0.5 C C:ASP381 5.0 14.5 1.0

Chlorine binding site 3 out of 3 in the B-Repeat of Listeria Monocytogenes Inlb (Internalin B)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of B-Repeat of Listeria Monocytogenes Inlb (Internalin B) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1392 b:38.7 occ:0.50 N D:ALA390 3.1 34.8 1.0 CG D:LYS389 3.6 37.9 0.5 CA D:LYS389 3.8 34.8 0.5 CA D:LYS389 3.8 34.8 0.5 CB D:ALA390 3.8 34.4 1.0 C D:LYS389 4.0 34.6 1.0 CA D:ALA390 4.1 34.6 1.0 CB D:LYS389 4.2 36.1 0.5 CB D:LYS389 4.3 36.2 0.5 CG D:LYS389 4.5 37.9 0.5 O D:PHE388 4.6 30.5 1.0 CE2 D:TYR355 4.6 41.6 1.0 CE D:LYS389 4.7 40.9 0.5 CD D:LYS389 4.7 40.0 0.5 O D:ALA390 4.9 35.7 1.0 N D:LYS389 5.0 33.9 1.0

M.Ebbes, W.M.Bleymuller, M.Cernescu, R.Nolker, B.Brutschy, H.H.Niemann. Fold and Function of the Inlb B-Repeat. J.Biol.Chem. V. 286 15496 2011.
ISSN: ISSN 0021-9258
PubMed: 21345802
DOI: 10.1074/JBC.M110.189951