Chlorine in PDB 6ggr: Crystal Structure of Salmonella Zinc Metalloprotease Effector Gtga in Complex with P65

The structure of Crystal Structure of Salmonella Zinc Metalloprotease Effector Gtga in Complex with P65, PDB code: 6ggr was solved by E.Jennings, D.Esposito, K.Rittinger, T.Thurston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.93 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.392, 85.833, 111.869, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 25.2

The binding sites of Chlorine atom in the Crystal Structure of Salmonella Zinc Metalloprotease Effector Gtga in Complex with P65 (pdb code 6ggr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Salmonella Zinc Metalloprotease Effector Gtga in Complex with P65, PDB code: 6ggr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Salmonella Zinc Metalloprotease Effector Gtga in Complex with P65


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 Salmonella Zinc Metalloprotease Effector Gtga in Complex with P65 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:30.3 occ:0.87 HZ3 A:LYS56 2.3 46.2 1.0 H B:TYR164 2.4 33.7 1.0 HA B:GLU163 3.0 37.6 1.0 O B:HOH404 3.0 39.1 1.0 HD1 B:TYR164 3.1 38.6 1.0 N B:TYR164 3.2 27.8 1.0 HB2 B:TYR164 3.2 33.5 1.0 NZ A:LYS56 3.2 38.3 1.0 HD3 A:LYS56 3.4 42.8 1.0 O A:HOH351 3.4 38.1 1.0 HE2 B:PHE226 3.4 64.5 1.0 O A:HOH346 3.5 46.1 1.0 HZ2 A:LYS56 3.6 46.2 1.0 HZ1 A:LYS56 3.7 46.2 1.0 CA B:GLU163 3.8 31.2 1.0 HG A:SER45 3.8 49.0 1.0 CB B:TYR164 3.9 27.7 1.0 HB3 B:GLU163 3.9 46.0 1.0 HE2 A:LYS56 4.0 36.9 1.0 CE A:LYS56 4.0 30.6 1.0 OG A:SER45 4.0 40.6 1.0 C B:GLU163 4.0 32.4 1.0 CD1 B:TYR164 4.0 31.9 1.0 CA B:TYR164 4.0 35.6 1.0 CD A:LYS56 4.0 35.4 1.0 HG2 B:GLU163 4.1 61.2 1.0 HD2 A:LYS56 4.2 42.8 1.0 O B:TYR164 4.3 25.3 1.0 CE2 B:PHE226 4.3 53.5 1.0 CB B:GLU163 4.3 38.1 1.0 CG B:TYR164 4.5 25.2 1.0 O B:PRO162 4.5 29.6 1.0 HZ B:PHE226 4.5 47.7 1.0 C B:TYR164 4.6 29.1 1.0 HB3 B:TYR164 4.7 33.5 1.0 CG B:GLU163 4.7 50.8 1.0 H A:SER45 4.7 52.7 1.0 CZ B:PHE226 4.8 39.6 1.0 HA B:TYR164 4.9 42.9 1.0 OE2 B:GLU163 4.9 55.1 1.0 HE3 A:LYS56 4.9 36.9 1.0 N B:GLU163 5.0 31.4 1.0 HE1 B:TYR164 5.0 38.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Salmonella Zinc Metalloprotease Effector Gtga in Complex with P65


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 Salmonella Zinc Metalloprotease Effector Gtga in Complex with P65 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:31.2 occ:1.00 HD1 B:HIS182 2.2 42.8 1.0 HH11 B:ARG221 2.4 35.2 1.0 HH11 B:ARG178 2.7 32.1 1.0 HG21 B:THR207 2.9 29.1 1.0 ND1 B:HIS182 3.1 35.5 1.0 NH1 B:ARG221 3.2 30.4 1.0 HD3 B:ARG178 3.2 33.0 1.0 HD3 B:ARG221 3.2 42.4 1.0 HD2 B:ARG221 3.2 42.4 1.0 HB B:THR207 3.3 39.5 1.0 HG22 B:VAL204 3.3 49.0 1.0 HA B:VAL204 3.3 48.8 1.0 NH1 B:ARG178 3.5 26.6 1.0 HH12 B:ARG221 3.5 35.2 1.0 HB2 B:HIS182 3.5 36.7 1.0 HG2 B:ARG178 3.5 33.2 1.0 HE1 B:PHE174 3.5 36.7 1.0 HG3 B:ARG178 3.6 33.2 1.0 HG13 B:VAL204 3.6 45.3 1.0 CG2 B:THR207 3.6 25.3 1.0 CD B:ARG221 3.7 35.1 1.0 HH12 B:ARG178 3.7 32.1 1.0 HG22 B:THR207 3.8 29.1 1.0 CB B:THR207 3.8 32.7 1.0 CG B:ARG178 3.9 27.5 1.0 CE1 B:HIS182 3.9 37.8 1.0 HE1 B:HIS182 3.9 45.6 1.0 CD B:ARG178 3.9 27.3 1.0 CG B:HIS182 4.0 35.0 1.0 CG2 B:VAL204 4.2 40.6 1.0 CA B:VAL204 4.2 40.4 1.0 OG1 B:THR207 4.2 29.6 1.0 CB B:HIS182 4.2 30.4 1.0 CZ B:ARG221 4.3 32.1 1.0 HB3 B:ARG221 4.3 45.9 1.0 HB2 B:ARG221 4.4 45.9 1.0 NE B:ARG221 4.4 31.4 1.0 CE1 B:PHE174 4.4 30.4 1.0 CG1 B:VAL204 4.5 37.6 1.0 HG23 B:THR207 4.5 29.1 1.0 CB B:VAL204 4.5 37.8 1.0 CZ B:ARG178 4.5 28.8 1.0 HG1 B:THR207 4.6 35.7 1.0 HD2 B:ARG178 4.7 33.0 1.0 HG23 B:VAL204 4.7 49.0 1.0 O B:VAL204 4.7 35.8 1.0 NE B:ARG178 4.7 29.9 1.0 CB B:ARG221 4.7 38.0 1.0 HG21 B:VAL204 4.8 49.0 1.0 HZ B:PHE174 4.8 35.6 1.0 CG B:ARG221 4.9 38.5 1.0 HB3 B:HIS182 4.9 36.7 1.0 OD1 B:ASN208 4.9 28.1 1.0 HA B:HIS182 5.0 35.7 1.0 C B:VAL204 5.0 40.3 1.0

E.Jennings, D.Esposito, K.Rittinger, T.L.M.Thurston. Structure-Function Analyses of the Bacterial Zinc Metalloprotease Effector Protein Gtga Uncover Key Residues Required For Deactivating Nf-Kappa B. J. Biol. Chem. V. 293 15316 2018.
ISSN: ESSN 1083-351X
PubMed: 30049795
DOI: 10.1074/JBC.RA118.004255