Chlorine in PDB 4pb0: Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53

The structure of Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53, PDB code: 4pb0 was solved by Z.Lu, M.J.Rynkiewicz, B.A.Seaton, J.Sharon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.92 / 2.50
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	151.817, 151.817, 102.766, 90.00, 90.00, 120.00
R / Rfree (%)	21 / 25.2

The binding sites of Chlorine atom in the Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53 (pdb code 4pb0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53, PDB code: 4pb0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl303 b:45.5 occ:1.00 OH H:TYR102 3.4 37.0 1.0 N H:VAL2 3.5 24.0 1.0 CE1 H:TYR102 3.7 28.7 1.0 CZ H:TYR102 3.8 32.6 1.0 CA H:GLU1 4.1 27.3 1.0 CG2 H:VAL2 4.2 20.3 1.0 CB H:VAL2 4.2 21.3 1.0 CG H:GLU1 4.2 43.0 1.0 C H:GLU1 4.3 27.9 1.0 CA H:VAL2 4.4 23.1 1.0 CB H:GLU1 4.7 34.0 1.0 CD1 H:TYR102 4.7 28.2 1.0 CE2 H:TYR102 4.9 29.5 1.0 O H:VAL2 5.0 35.8 1.0

Chlorine binding site 2 out of 6 in the Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl304 b:57.5 occ:1.00 NH1 H:ARG52 3.5 31.1 1.0 NH2 H:ARG52 3.7 17.7 1.0 O1 H:SO4302 3.9 91.5 1.0 CZ H:ARG52 4.1 29.1 1.0 O4 H:SO4302 4.8 90.0 1.0 S H:SO4302 5.0 91.2 1.0

Chlorine binding site 3 out of 6 in the Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl305 b:33.5 occ:1.00 OH H:TYR59 3.3 16.8 1.0 OG1 H:THR57 3.3 20.8 1.0 O H:HOH460 3.7 25.2 1.0 CE2 H:TYR59 4.0 15.7 1.0 CZ H:TYR59 4.1 16.6 1.0 CB H:THR57 4.3 19.4 1.0 CG2 H:THR68 4.4 17.8 1.0 CG2 H:THR57 4.4 15.4 1.0 O H:HOH458 4.5 40.8 1.0

Chlorine binding site 4 out of 6 in the Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl306 b:31.2 occ:1.00 OG1 H:THR28 3.1 23.5 1.0 N H:THR28 3.1 19.8 1.0 CB H:THR28 3.7 20.4 1.0 CA H:PHE27 3.9 26.1 1.0 O H:HOH415 3.9 41.8 1.0 C H:PHE27 4.0 20.0 1.0 CA H:THR28 4.0 20.1 1.0 O H:HOH407 4.2 23.8 1.0 CB H:PHE27 4.2 20.9 1.0

Chlorine binding site 5 out of 6 in the Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl307 b:30.0 occ:1.00 N H:LEU4 3.1 23.5 1.0 O H:HOH444 3.1 22.7 1.0 O H:HOH457 3.6 32.7 1.0 O H:LEU4 3.8 27.4 1.0 CA H:LYS3 3.8 32.5 1.0 CA H:GLY104 3.9 21.2 1.0 CA H:LEU4 3.9 21.6 1.0 C H:LYS3 3.9 31.1 1.0 CB H:LEU4 4.1 18.6 1.0 C H:LEU4 4.1 24.5 1.0 O H:TRP103 4.2 22.8 1.0 O H:VAL2 4.3 35.8 1.0 N H:GLN105 4.5 23.0 1.0 CB H:LYS3 4.6 41.5 1.0 CG H:LEU4 4.6 17.5 1.0 C H:GLY104 4.7 20.4 1.0 N H:GLY104 4.7 13.4 1.0 C H:TRP103 4.8 20.2 1.0 N H:LYS3 4.9 29.1 1.0 C H:VAL2 5.0 30.8 1.0

Chlorine binding site 6 out of 6 in the Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Fab Fragment of the Anti-Francisella Tularensis Groel Antibody AB53 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl309 b:37.9 occ:1.00 N H:ARG71 3.3 21.0 1.0 CB H:TYR55 3.6 50.4 1.0 CA H:SER70 3.7 16.1 1.0 CG H:TYR55 3.8 55.8 1.0 O H:ARG71 3.8 19.7 1.0 CB H:SER70 3.9 17.5 1.0 C H:SER70 4.0 22.7 1.0 CG H:ARG71 4.0 20.4 1.0 CD2 H:TYR55 4.0 59.4 1.0 O H:HOH460 4.3 25.2 1.0 CA H:ARG71 4.3 21.5 1.0 CD1 H:TYR55 4.4 57.2 1.0 C H:ARG71 4.5 22.8 1.0 CB H:ARG71 4.7 18.5 1.0 CG2 H:VAL51 4.7 17.0 1.0 CE2 H:TYR55 4.8 61.7 1.0 O H:ILE69 4.8 19.1 1.0 N H:SER70 5.0 15.1 1.0 O H:TYR55 5.0 56.0 1.0

Z.Lu, M.J.Rynkiewicz, G.Madico, S.Li, C.Y.Yang, H.M.Perkins, S.R.Sompuram, V.Kodela, T.Liu, T.Morris, D.Wang, M.I.Roche, B.A.Seaton, J.Sharon. B-Cell Epitopes in Groel of Francisella Tularensis. Plos One V. 9 99847 2014.
ISSN: ESSN 1932-6203
PubMed: 24968190
DOI: 10.1371/JOURNAL.PONE.0099847