Chlorine in PDB 8slb: X-Ray Structure of Cora N-Terminal Domain in Complex with Conformation-Specific Synthetic Antibody C12

The structure of X-Ray Structure of Cora N-Terminal Domain in Complex with Conformation-Specific Synthetic Antibody C12, PDB code: 8slb was solved by P.K.Dominik, S.K.Erramilli, B.G.Reddy, A.A.Kossiakoff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.82 / 2.04
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	137.338, 44.527, 150.634, 90, 108.01, 90
R / Rfree (%)	16.6 / 21.8

The binding sites of Chlorine atom in the X-Ray Structure of Cora N-Terminal Domain in Complex with Conformation-Specific Synthetic Antibody C12 (pdb code 8slb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Structure of Cora N-Terminal Domain in Complex with Conformation-Specific Synthetic Antibody C12, PDB code: 8slb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the X-Ray Structure of Cora N-Terminal Domain in Complex with Conformation-Specific Synthetic Antibody C12


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Cora N-Terminal Domain in Complex with Conformation-Specific Synthetic Antibody C12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:78.5 occ:1.00 OD2 A:ASP253 3.2 57.4 1.0 CE1 A:TYR250 4.0 37.9 1.0 CD1 A:TYR250 4.1 37.2 1.0 CB A:PRO249 4.3 38.2 1.0 CZ A:TYR250 4.3 37.0 1.0 CG A:ASP253 4.4 50.8 1.0 O A:PRO249 4.4 34.0 1.0 O A:HOH460 4.4 51.9 1.0 C A:PRO249 4.6 35.4 1.0 CG A:TYR250 4.7 34.5 1.0 OH A:TYR250 4.8 42.7 1.0 CE2 A:TYR250 4.8 36.5 1.0 N A:TYR250 4.8 32.3 1.0 OD1 A:ASP253 4.9 53.6 1.0 CD2 A:TYR250 5.0 35.4 1.0

Chlorine binding site 2 out of 3 in the X-Ray Structure of Cora N-Terminal Domain in Complex with Conformation-Specific Synthetic Antibody C12


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Cora N-Terminal Domain in Complex with Conformation-Specific Synthetic Antibody C12 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:64.6 occ:1.00 CE H:LYS220 3.7 62.1 1.0 NZ H:LYS225 4.3 72.5 1.0 CD H:LYS220 4.4 60.1 1.0 CG H:LYS220 4.5 57.1 1.0 O H:HOH440 4.6 55.6 1.0 ND2 H:ASN218 4.7 51.8 1.0 NZ H:LYS220 4.7 65.0 1.0 O H:HOH604 4.9 75.2 1.0

Chlorine binding site 3 out of 3 in the X-Ray Structure of Cora N-Terminal Domain in Complex with Conformation-Specific Synthetic Antibody C12


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Cora N-Terminal Domain in Complex with Conformation-Specific Synthetic Antibody C12 within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl301 b:75.0 occ:1.00 NH1 L:ARG25 3.3 48.8 1.0 CG2 L:THR23 3.5 41.5 1.0 OD1 L:ASP71 3.6 50.5 1.0 O L:HOH534 3.8 38.6 1.0 CG L:ASP71 3.9 50.6 1.0 OD2 L:ASP71 4.0 58.2 1.0 CB L:ARG25 4.2 37.3 1.0 CD L:ARG25 4.3 45.9 1.0 CZ L:ARG25 4.5 48.9 1.0 CG L:ARG25 4.7 41.5 1.0 CB L:ASP71 4.8 43.5 1.0 NE L:ARG25 4.9 47.4 1.0 CB L:THR23 4.9 38.0 1.0

S.K.Erramilli, P.K.Dominik, D.Deneka, P.Tokarz, S.S.Kim, B.G.Reddy, B.M.Skrobek, O.Dalmas, E.Perozo, A.A.Kossiakoff. Conformation-Specific Synthetic Antibodies Discriminate Multiple Functional States of the Ion Channel Cora. Biorxiv 2023.
ISSN: ISSN 2692-8205
PubMed: 37205530
DOI: 10.1101/2023.05.07.539746