Chlorine in PDB 4ouo: Anti-Bla G 1 Scfv

The structure of Anti-Bla G 1 Scfv, PDB code: 4ouo was solved by G.A.Mueller, J.A.Ankney, J.Glesner, T.Khurana, L.L.Edwards, L.C.Pedersen, L.Perera, J.E.Slater, A.Pomes, R.E.London, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.65 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.500, 51.100, 44.900, 90.00, 105.00, 90.00
R / Rfree (%)	16.5 / 19.1

The binding sites of Chlorine atom in the Anti-Bla G 1 Scfv (pdb code 4ouo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Anti-Bla G 1 Scfv, PDB code: 4ouo:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Anti-Bla G 1 Scfv


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Anti-Bla G 1 Scfv within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:25.0 occ:1.00 O A:HOH451 3.1 37.0 1.0 N A:ALA214 3.1 16.0 1.0 OG A:SER216 3.1 19.0 1.0 N A:SER216 3.3 12.7 1.0 N A:TYR215 3.4 15.8 1.0 CB A:SER216 3.4 23.2 1.0 OD2 A:ASP147 3.8 32.3 1.0 CE2 A:TYR215 3.8 19.3 1.0 CD2 A:TYR215 3.9 20.2 1.0 CA A:ALA214 3.9 14.7 1.0 CB A:ALA214 3.9 15.1 1.0 CA A:SER216 3.9 14.2 1.0 CZ A:TYR215 4.0 22.9 1.0 CA A:GLY213 4.0 17.5 1.0 CG A:TYR215 4.0 17.8 1.0 C A:GLY213 4.0 15.5 1.0 CE1 A:TYR215 4.1 21.0 1.0 C A:ALA214 4.1 16.1 1.0 CD1 A:TYR215 4.1 17.2 1.0 C A:TYR215 4.2 19.2 1.0 CA A:TYR215 4.2 17.9 1.0 CD A:LYS219 4.3 22.6 1.0 CE A:LYS219 4.5 36.1 1.0 OH A:TYR215 4.6 22.8 1.0 CB A:TYR215 4.8 17.0 1.0 CG A:ASP147 4.8 30.9 1.0 O A:SER216 4.8 16.1 1.0 C A:SER216 4.9 14.9 1.0

Chlorine binding site 2 out of 3 in the Anti-Bla G 1 Scfv


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Anti-Bla G 1 Scfv within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:39.2 occ:1.00 OG1 A:THR168 2.8 41.3 1.0 O A:HOH406 2.8 22.2 1.0 N A:THR168 3.2 22.7 1.0 N A:ILE167 3.5 18.4 1.0 CA A:GLY166 3.5 17.2 1.0 OG A:SER170 3.6 18.8 1.0 CB A:THR168 3.6 28.3 1.0 CB A:SER170 3.6 17.0 1.0 C A:GLY166 3.6 20.5 1.0 CA A:THR168 3.7 26.1 1.0 N A:SER170 3.8 17.8 1.0 O A:HOH501 3.8 39.4 1.0 CG2 A:THR168 3.8 34.1 1.0 N A:GLY169 4.0 22.3 1.0 C A:THR168 4.1 30.9 1.0 C A:ILE167 4.2 23.5 1.0 CA A:SER170 4.3 11.5 1.0 O A:GLY166 4.3 20.5 1.0 N A:GLY166 4.4 15.8 1.0 CA A:ILE167 4.5 22.4 1.0 CG1 A:ILE167 4.8 32.6 1.0 O A:SER170 4.8 16.3 1.0 C A:GLY169 4.8 19.9 1.0 OH A:TYR172 4.9 18.4 1.0 O A:THR168 4.9 30.0 1.0

Chlorine binding site 3 out of 3 in the Anti-Bla G 1 Scfv


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Anti-Bla G 1 Scfv within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:52.5 occ:1.00 OG A:SER92 2.8 38.3 0.4 OG A:SER28 3.2 58.1 1.0 NH1 A:ARG90 3.5 28.1 1.0 N A:SER27 3.6 29.9 1.0 OG A:SER27 3.6 52.0 1.0 N A:SER28 3.6 25.5 1.0 C A:GLY26 4.0 30.4 1.0 NH2 A:ARG90 4.0 28.8 1.0 CA A:GLY26 4.1 21.4 1.0 CB A:SER92 4.1 36.5 0.4 CA A:SER92 4.1 37.4 0.6 CB A:SER28 4.2 36.6 1.0 CZ A:ARG90 4.3 30.5 1.0 CA A:SER27 4.4 35.3 1.0 CA A:SER28 4.5 33.5 1.0 CA A:SER92 4.5 36.0 0.4 C A:SER27 4.5 31.1 1.0 O A:SER92 4.5 42.2 0.6 CB A:SER92 4.5 35.4 0.6 CB A:SER27 4.6 44.6 1.0 C A:SER92 4.8 37.0 0.6 O A:GLY26 4.8 23.8 1.0 N A:SER29 5.0 25.6 1.0 C A:SER28 5.0 32.4 1.0

G.A.Mueller, J.A.Ankney, J.Glesner, T.Khurana, L.L.Edwards, L.C.Pedersen, L.Perera, J.E.Slater, A.Pomes, R.E.London. Characterization of An Anti-Bla G 1 Scfv: Epitope Mapping and Cross-Reactivity. Mol.Immunol. V. 59 200 2014.
ISSN: ISSN 0161-5890
PubMed: 24667070
DOI: 10.1016/J.MOLIMM.2014.02.003