Chlorine in PDB 8t7g: Structure of the Ck Variant of Fab F1 (Fabc-F1)

The structure of Structure of the Ck Variant of Fab F1 (Fabc-F1), PDB code: 8t7g was solved by A.U.Singer, H.A.Bruce, L.Blazer, J.J.Adams, F.Sicheri, S.S.Sidhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.65 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	106.707, 73.752, 70.029, 90, 116.54, 90
R / Rfree (%)	19.4 / 22.8

The binding sites of Chlorine atom in the Structure of the Ck Variant of Fab F1 (Fabc-F1) (pdb code 8t7g). 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 Ck Variant of Fab F1 (Fabc-F1), PDB code: 8t7g:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Structure of the Ck Variant of Fab F1 (Fabc-F1)


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 Ck Variant of Fab F1 (Fabc-F1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:58.3 occ:1.00 N A:TRP52 3.3 41.2 1.0 N B:PHE116 3.4 50.6 1.0 O A:HOH430 3.5 46.3 1.0 CA A:GLU51 3.6 41.5 1.0 CA B:THR115 3.7 59.7 1.0 O A:LEU50 3.9 40.2 1.0 C A:GLU51 3.9 40.5 1.0 CD1 B:PHE116 3.9 46.5 1.0 C B:THR115 4.0 56.8 1.0 O B:ILE114 4.1 64.9 1.0 CG A:GLU51 4.2 46.6 1.0 CB A:TRP52 4.2 48.1 1.0 CB B:THR115 4.3 60.8 1.0 CB B:PHE116 4.3 45.5 1.0 CA A:TRP52 4.3 47.0 1.0 CB A:GLU51 4.3 41.6 1.0 CA B:PHE116 4.4 47.9 1.0 N A:GLU51 4.6 35.8 1.0 CG B:PHE116 4.6 45.6 1.0 C A:LEU50 4.6 39.7 1.0 N B:THR115 4.7 56.9 1.0 O A:TRP52 4.7 46.0 1.0 O B:PHE116 4.7 48.1 1.0 CG2 B:THR115 4.7 63.6 1.0 C B:ILE114 4.8 58.7 1.0 CE1 B:PHE116 4.9 47.0 1.0 O A:HOH415 4.9 52.1 1.0

Chlorine binding site 2 out of 6 in the Structure of the Ck Variant of Fab F1 (Fabc-F1)


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 Ck Variant of Fab F1 (Fabc-F1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:53.4 occ:1.00 N A:PHE28 3.2 48.4 1.0 ND2 A:ASN85 3.3 61.0 1.0 CB A:PHE28 3.4 53.9 1.0 N A:GLY27 3.7 43.8 1.0 C A:SER26 3.7 49.3 1.0 CA A:PHE28 3.8 53.5 1.0 CA A:SER26 3.9 49.0 1.0 CG A:PHE28 3.9 54.0 1.0 O A:ALA25 4.0 48.2 1.0 CD1 A:PHE28 4.2 51.0 1.0 O A:PHE28 4.2 58.5 1.0 C A:ALA25 4.3 47.7 1.0 C A:GLY27 4.3 50.5 1.0 O A:SER26 4.3 44.8 1.0 N A:SER26 4.3 47.7 1.0 C A:PHE28 4.5 63.6 1.0 CA A:GLY27 4.5 50.5 1.0 CG A:ASN85 4.5 62.4 1.0 CB A:ALA25 4.8 49.0 1.0 CD2 A:PHE28 4.8 54.0 1.0 CB A:ASN85 4.9 55.4 1.0

Chlorine binding site 3 out of 6 in the Structure of the Ck Variant of Fab F1 (Fabc-F1)


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 Ck Variant of Fab F1 (Fabc-F1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:60.1 occ:1.00 O A:HOH497 2.5 53.8 1.0 N A:VAL145 3.1 27.7 1.0 O A:VAL145 3.7 29.3 1.0 CA A:SER144 3.8 29.5 1.0 C A:SER144 3.9 29.3 1.0 CA A:VAL145 4.0 28.7 1.0 CB A:VAL145 4.2 28.8 1.0 CG1 A:VAL231 4.2 32.6 1.0 C A:VAL145 4.3 27.7 1.0 CB A:SER144 4.4 31.3 1.0 O A:PRO143 4.4 30.0 1.0 CG2 A:VAL145 4.6 27.2 1.0 OG A:SER144 4.8 36.6 1.0 O A:HOH508 4.9 56.4 1.0 CG2 A:VAL231 4.9 27.7 1.0 N A:SER144 4.9 30.3 1.0

Chlorine binding site 4 out of 6 in the Structure of the Ck Variant of Fab F1 (Fabc-F1)


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 Ck Variant of Fab F1 (Fabc-F1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:56.7 occ:1.00 N B:VAL133 3.3 32.3 1.0 CA B:SER132 3.8 34.9 1.0 O B:PRO131 3.9 36.0 1.0 CE B:LYS225 3.9 39.6 1.0 C B:SER132 4.0 31.2 1.0 O B:HOH409 4.1 38.0 1.0 O B:VAL133 4.1 31.4 1.0 CA B:VAL133 4.2 25.9 1.0 CB B:VAL133 4.2 28.7 1.0 CG2 B:VAL133 4.4 29.5 1.0 CB B:SER132 4.6 37.1 1.0 CG1 B:VAL223 4.7 30.4 1.0 C B:VAL133 4.7 28.3 1.0 C B:PRO131 4.7 35.0 1.0 N B:SER132 4.7 36.3 1.0 OG B:SER132 5.0 49.4 1.0

Chlorine binding site 5 out of 6 in the Structure of the Ck Variant of Fab F1 (Fabc-F1)


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 Ck Variant of Fab F1 (Fabc-F1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:66.5 occ:1.00 NH2 B:ARG229 2.6 47.4 1.0 C B:HIS207 3.4 40.2 1.0 N B:LYS208 3.6 40.0 1.0 O B:HIS207 3.7 38.6 1.0 O B:LYS206 3.8 47.3 1.0 CA B:HIS207 3.8 41.8 1.0 CZ B:ARG229 3.9 44.1 1.0 N B:HIS207 3.9 43.4 1.0 C B:LYS206 3.9 46.1 1.0 CB B:LYS208 4.0 34.9 1.0 CA B:LYS208 4.0 38.4 1.0 O B:GLU205 4.3 50.8 1.0 NE B:ARG229 4.5 41.3 1.0 NH1 B:ARG229 4.8 50.3 1.0 CA B:LYS206 4.9 48.1 1.0

Chlorine binding site 6 out of 6 in the Structure of the Ck Variant of Fab F1 (Fabc-F1)


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 Ck Variant of Fab F1 (Fabc-F1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:71.8 occ:1.00 OE1 B:GLN43 3.4 44.5 1.0 CD2 B:LEU53 3.8 50.5 1.0 CD B:LYS51 3.9 50.6 1.0 O B:HOH436 4.2 46.1 1.0 CD B:GLN43 4.3 46.1 1.0 O B:HOH432 4.6 43.8 1.0 CB B:LYS51 4.7 46.5 1.0 CD B:PRO72 4.7 59.7 1.0 NE2 B:GLN43 4.7 42.4 1.0 O B:HOH490 4.8 54.7 1.0 CG B:LYS51 4.9 49.2 1.0 CG2 B:VAL71 4.9 55.8 1.0 CE B:LYS51 4.9 58.2 1.0 O B:HOH481 5.0 50.5 1.0

H.A.Bruce, A.U.Singer, E.V.Filippova, L.L.Blazer, J.J.Adams, L.Enderle, M.Ben-David, E.H.Radley, D.Y.L.Mao, V.Pau, S.Orlicky, F.Sicheri, I.Kourinov, S.Atwell, A.A.Kossiakoff, S.S.Sidhu. Engineered Antigen-Binding Fragments For Enhanced Crystallization of Antibody:Antigen Complexes. Protein Sci. E4824 2023.
ISSN: ESSN 1469-896X
PubMed: 37945533
DOI: 10.1002/PRO.4824