Chlorine in PDB 8deo: Structure of Aap A Domain and B-Repeats (Residues 351-813) From Staphylococcus Epidermidis

The structure of Structure of Aap A Domain and B-Repeats (Residues 351-813) From Staphylococcus Epidermidis, PDB code: 8deo was solved by G.Harris, F.Whelan, L.Clark, J.P.Turkenburg, J.R.Potts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.71 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	58.482, 66.565, 66.873, 84.7, 80.49, 89.66
R / Rfree (%)	19.8 / 24.3

The structure of Structure of Aap A Domain and B-Repeats (Residues 351-813) From Staphylococcus Epidermidis also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Structure of Aap A Domain and B-Repeats (Residues 351-813) From Staphylococcus Epidermidis (pdb code 8deo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Aap A Domain and B-Repeats (Residues 351-813) From Staphylococcus Epidermidis, PDB code: 8deo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Aap A Domain and B-Repeats (Residues 351-813) From Staphylococcus Epidermidis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Aap A Domain and B-Repeats (Residues 351-813) From Staphylococcus Epidermidis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:45.1 occ:1.00 N A:LEU533 3.5 38.0 1.0 N A:ASN380 3.6 67.1 1.0 CD A:LYS532 3.9 54.6 1.0 CB A:LYS532 3.9 44.1 1.0 CD2 A:LEU379 4.0 48.9 1.0 CB A:LEU533 4.0 40.5 1.0 CA A:LEU379 4.1 56.6 1.0 CA A:LYS532 4.3 40.0 1.0 C A:LEU379 4.3 61.8 1.0 CD1 A:LEU533 4.3 40.1 1.0 CG A:LEU533 4.3 40.2 1.0 CA A:LEU533 4.4 38.7 1.0 CB A:LEU379 4.4 50.6 1.0 C A:LYS532 4.4 39.4 1.0 CE A:LYS532 4.5 56.0 1.0 CA A:ASN380 4.6 69.8 1.0 CG A:LYS532 4.6 48.8 1.0 CB A:ASN380 4.6 72.5 1.0 O A:LEU533 4.7 41.1 1.0 CG A:LEU379 4.8 49.1 1.0 NZ A:LYS532 4.9 57.1 1.0 O A:ASN380 5.0 66.4 1.0 C A:ASN380 5.0 68.6 1.0

Chlorine binding site 2 out of 2 in the Structure of Aap A Domain and B-Repeats (Residues 351-813) From Staphylococcus Epidermidis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Aap A Domain and B-Repeats (Residues 351-813) From Staphylococcus Epidermidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl902 b:44.2 occ:1.00 N B:ASN380 3.4 62.8 0.5 N B:ASN380 3.4 61.3 0.5 N B:LEU533 3.5 34.9 1.0 CD2 B:LEU379 3.8 50.0 1.0 CB B:LEU533 3.9 38.0 1.0 CA B:LEU379 3.9 53.0 1.0 CB B:LYS532 4.0 39.0 1.0 CD B:LYS532 4.0 50.2 1.0 C B:LEU379 4.1 59.8 1.0 CG B:LEU533 4.2 38.8 1.0 CD1 B:LEU533 4.2 38.6 1.0 CA B:LYS532 4.2 36.9 1.0 CA B:LEU533 4.3 35.1 1.0 CA B:ASN380 4.3 65.4 0.5 CB B:ASN380 4.3 67.3 0.5 CB B:LEU379 4.3 50.2 1.0 CA B:ASN380 4.3 63.1 0.5 CB B:ASN380 4.3 63.5 0.5 C B:LYS532 4.3 35.3 1.0 ND2 B:ASN380 4.4 61.4 0.5 CG B:LYS532 4.6 44.0 1.0 CE B:LYS532 4.7 53.6 1.0 CG B:ASN380 4.7 63.9 0.5 CG B:LEU379 4.7 48.9 1.0 O B:LEU533 4.7 34.5 1.0 C B:ASN380 4.8 64.0 0.5 O B:ASN380 4.8 66.5 0.5 C B:ASN380 4.8 62.6 0.5 O B:ASN380 4.9 65.2 0.5

L.C.Clark, K.E.Atkin, F.Whelan, A.S.Brentnall, G.Harris, A.M.Towell, J.P.Turkenburg, Y.Liu, T.Feizi, S.C.Griffiths, J.A.Geoghegan, J.R.Potts. Staphylococcal Periscope Proteins Aap, Sasg, and Pls Project Noncanonical Legume-Like Lectin Adhesin Domains From the Bacterial Surface. J.Biol.Chem. V. 299 02936 2023.
ISSN: ESSN 1083-351X
PubMed: 36702253
DOI: 10.1016/J.JBC.2023.102936