Chlorine in PDB 2omy: Crystal Structure of Inla S192N/HEC1 Complex

The structure of Crystal Structure of Inla S192N/HEC1 Complex, PDB code: 2omy was solved by T.Wollert, D.W.Heinz, W.D.Schubert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.94 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.465, 68.901, 132.358, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 21.1

The structure of Crystal Structure of Inla S192N/HEC1 Complex also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Inla S192N/HEC1 Complex (pdb code 2omy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Inla S192N/HEC1 Complex, PDB code: 2omy:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Inla S192N/HEC1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Inla S192N/HEC1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl903 b:20.3 occ:1.00 O A:HOH915 3.1 13.1 1.0 O A:HOH1107 3.2 25.7 1.0 ND2 A:ASN325 3.2 6.0 1.0 NZ B:LYS25 3.3 27.9 1.0 CA A:GLY303 3.8 4.4 1.0 CE B:LYS25 3.8 28.7 1.0 CB A:ALA281 3.9 3.6 1.0 C A:GLY303 4.0 4.5 1.0 O A:HOH1147 4.1 28.6 1.0 CG A:ASN325 4.1 12.6 1.0 OD1 A:ASN325 4.1 10.0 1.0 O A:GLY303 4.2 4.2 1.0 CD B:LYS25 4.3 25.3 1.0 OE1 A:GLU323 4.3 11.1 1.0 O A:HOH997 4.3 20.1 1.0 ND2 A:ASN282 4.4 15.3 1.0 OE2 A:GLU326 4.5 11.9 1.0 N A:GLY303 4.5 5.5 1.0 O B:HOH974 4.5 33.7 1.0 N A:ALA304 4.6 3.4 1.0 CB A:ALA304 4.6 7.9 1.0 OD1 A:ASN282 4.6 12.5 1.0 OH A:TYR347 4.7 7.8 1.0 CG A:ASN282 4.8 10.9 1.0 CA A:CA901 4.9 21.5 0.7

Chlorine binding site 2 out of 4 in the Crystal Structure of Inla S192N/HEC1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Inla S192N/HEC1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl904 b:17.5 occ:0.80 OG A:SER389 2.8 10.7 1.0 O B:HOH936 3.0 25.3 1.0 N A:GLY391 3.1 5.8 1.0 O A:HOH913 3.2 10.5 0.5 N A:ALA390 3.4 6.0 1.0 CA A:GLY411 3.5 2.7 1.0 CA A:SER389 3.6 4.3 1.0 O A:GLY411 3.6 4.7 1.0 C A:SER389 3.6 6.9 1.0 C A:GLY411 3.7 5.4 1.0 CD2 A:TYR369 3.7 15.8 1.0 CA A:GLY391 3.7 7.9 1.0 CB A:SER389 3.8 3.8 1.0 CB A:TYR369 4.1 3.2 1.0 C A:ALA390 4.1 5.0 1.0 O B:HOH919 4.3 19.9 1.0 O B:GLY0 4.3 10.1 1.0 CA A:ALA390 4.3 5.9 1.0 O A:SER389 4.4 6.4 1.0 CG A:TYR369 4.4 9.0 1.0 O A:HOH1156 4.4 26.2 1.0 N A:LEU412 4.5 5.5 1.0 CD2 B:LEU-1 4.5 18.2 1.0 N A:GLY411 4.5 5.0 1.0 OD1 A:ASN413 4.6 19.6 0.5 CE2 A:TYR369 4.7 14.6 1.0 O B:HOH915 4.7 17.9 1.0 O A:HOH925 4.8 15.0 1.0 C A:GLY391 4.8 7.7 1.0 O A:HOH1470 4.9 41.7 1.0 CA A:TYR369 4.9 5.2 1.0 O B:HOH989 5.0 33.0 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Inla S192N/HEC1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Inla S192N/HEC1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl905 b:20.4 occ:1.00 O A:HOH1223 3.1 27.8 1.0 N A:GLN82 3.3 9.1 1.0 NZ A:LYS56 3.3 13.3 1.0 CE A:LYS56 3.8 11.5 1.0 CB A:GLN82 4.0 11.3 1.0 O A:GLN82 4.0 9.7 1.0 CA A:LEU81 4.0 5.2 1.0 CD1 A:LEU81 4.0 9.2 1.0 CA A:GLN82 4.1 6.2 1.0 CG2 A:VAL60 4.1 11.1 1.0 C A:LEU81 4.1 9.4 1.0 CG A:GLN82 4.3 20.9 1.0 O A:THR80 4.3 9.3 0.5 C A:GLN82 4.3 10.9 1.0 O A:THR80 4.4 6.7 0.5 O A:HOH1203 4.5 25.9 1.0 O A:HOH1375 4.5 42.0 1.0 O A:HOH1499 4.6 49.5 1.0 N A:LEU81 4.8 8.3 1.0 C A:THR80 4.9 13.4 0.5 O A:HOH1302 4.9 29.2 1.0 C A:THR80 4.9 10.2 0.5

Chlorine binding site 4 out of 4 in the Crystal Structure of Inla S192N/HEC1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Inla S192N/HEC1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl906 b:20.3 occ:1.00 O A:HOH930 3.1 15.8 1.0 ND2 A:ASN384 3.1 24.3 0.4 CG A:LYS362 3.8 9.1 1.0 CA A:LYS362 3.9 7.3 1.0 CG A:ASN384 4.0 21.8 0.4 CB A:LYS362 4.1 6.3 1.0 OD1 A:ASN384 4.1 25.9 0.4 ND2 A:ASN384 4.5 4.7 0.6 O A:THR361 4.5 10.0 1.0 CD A:LYS362 4.6 13.0 1.0 N A:LYS362 4.8 8.3 1.0 O A:LYS362 4.8 7.0 1.0 C A:LYS362 4.9 9.2 1.0 CB A:ASN384 5.0 3.9 0.6

T.Wollert, B.Pasche, M.Rochon, S.Deppenmeier, J.Van Den Heuvel, A.D.Gruber, D.W.Heinz, A.Lengeling, W.D.Schubert. Extending the Host Range of Listeria Monocytogenes By Rational Protein Design. Cell(Cambridge,Mass.) V. 129 891 2007.
ISSN: ISSN 0092-8674
PubMed: 17540170
DOI: 10.1016/J.CELL.2007.03.049