Calcium 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:

Chlorine

(Cl)

4 atoms

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

Calcium binding site 1 out of 2 in the Crystal Structure of Inla S192N/HEC1 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Inla S192N/HEC1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca901 b:21.5 occ:0.70 O A:HOH1274 2.1 32.4 1.0 O B:HOH951 2.3 27.8 1.0 O A:HOH1107 2.3 25.7 1.0 OE1 A:GLU326 2.4 14.6 1.0 OE2 A:GLU326 2.5 11.9 1.0 O A:HOH1147 2.5 28.6 1.0 O B:HOH960 2.7 29.6 1.0 CD A:GLU326 2.8 13.5 1.0 OD2 B:ASP29 4.2 15.3 1.0 O B:HOH974 4.3 33.7 1.0 CG A:GLU326 4.3 9.0 1.0 OD1 B:ASP29 4.4 15.3 1.0 CE B:LYS30 4.4 28.6 1.0 NZ B:LYS30 4.7 30.4 1.0 OD1 A:ASN282 4.8 12.5 1.0 CG B:ASP29 4.8 18.2 1.0 ND2 A:ASN325 4.8 6.0 1.0 CB A:ALA304 4.8 7.9 1.0 ND2 B:ASN27 4.9 10.4 1.0 O A:HOH1373 4.9 38.8 1.0 CL A:CL903 4.9 20.3 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Inla S192N/HEC1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca902 b:35.1 occ:0.80 O B:HOH982 2.3 30.9 1.0 OE1 B:GLU69 2.3 34.1 1.0 OD1 B:ASP67 2.4 23.7 1.0 OE1 B:GLU11 2.4 14.4 1.0 O B:HOH1009 2.5 36.3 1.0 CD B:GLU11 3.4 19.5 1.0 CG B:ASP67 3.5 17.3 1.0 CD B:GLU69 3.5 34.9 1.0 OE2 B:GLU11 3.7 18.1 1.0 O B:HOH979 3.9 33.2 1.0 OD2 B:ASP67 4.1 29.0 1.0 OE2 B:GLU69 4.3 36.7 1.0 CA B:ASP67 4.3 15.4 1.0 N B:ARG68 4.3 11.0 1.0 ND2 B:ASN12 4.4 22.8 1.0 CB B:ASP67 4.4 15.1 1.0 N B:GLU69 4.4 16.2 1.0 CB B:GLU69 4.5 23.7 1.0 CG B:GLU69 4.5 26.4 1.0 OD1 B:ASN12 4.5 21.5 1.0 C B:ASP67 4.6 8.2 1.0 CG B:GLU11 4.6 15.2 1.0 CG B:ASN12 4.9 16.4 1.0

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