Chlorine in PDB 8t8i: Structure of Vhh-Fab Complex with Engineered Elbow Fnqikg, Crystal Kappa and Ser Substitutions

The structure of Structure of Vhh-Fab Complex with Engineered Elbow Fnqikg, Crystal Kappa and Ser Substitutions, PDB code: 8t8i was solved by E.V.Filippova, I.Thompson, A.A.Kossiakoff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	121.20 / 2.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.221, 72.771, 242.398, 90, 90, 90
R / Rfree (%)	19.1 / 24.3

The binding sites of Chlorine atom in the Structure of Vhh-Fab Complex with Engineered Elbow Fnqikg, Crystal Kappa and Ser Substitutions (pdb code 8t8i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Vhh-Fab Complex with Engineered Elbow Fnqikg, Crystal Kappa and Ser Substitutions, PDB code: 8t8i:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Vhh-Fab Complex with Engineered Elbow Fnqikg, Crystal Kappa and Ser Substitutions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Vhh-Fab Complex with Engineered Elbow Fnqikg, Crystal Kappa and Ser Substitutions within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:77.5 occ:1.00 N H:TRP52 3.2 71.5 1.0 N L:PHE116 3.4 65.7 1.0 NE2 L:GLN3 3.5 102.7 1.0 CA H:GLU51 3.7 69.2 1.0 CA L:THR115 3.8 69.2 1.0 OG1 L:THR115 3.9 71.8 1.0 C H:GLU51 3.9 72.0 1.0 CG L:GLN3 4.0 106.5 1.0 CB H:TRP52 4.1 69.8 1.0 C L:THR115 4.1 66.5 1.0 CD2 L:PHE116 4.2 60.7 1.0 CD L:GLN3 4.2 103.6 1.0 CA H:TRP52 4.2 68.8 1.0 O L:ILE112 4.2 70.2 1.0 O H:LEU50 4.2 67.7 1.0 CG H:GLU51 4.3 72.3 1.0 CB L:PHE116 4.3 61.5 1.0 CB L:THR115 4.3 71.3 1.0 CA L:PHE116 4.4 63.8 1.0 O L:PHE116 4.4 67.9 1.0 CB H:GLU51 4.5 68.7 1.0 O H:HOH411 4.5 75.7 1.0 O H:TRP52 4.6 72.4 1.0 N H:GLU51 4.6 66.7 1.0 N L:THR115 4.7 68.7 1.0 CG L:PHE116 4.7 59.5 1.0 C H:LEU50 4.8 66.8 1.0 C L:ILE112 4.8 69.3 1.0 C L:PHE116 4.9 66.0 1.0 C H:TRP52 4.9 70.5 1.0

Chlorine binding site 2 out of 2 in the Structure of Vhh-Fab Complex with Engineered Elbow Fnqikg, Crystal Kappa and Ser Substitutions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Vhh-Fab Complex with Engineered Elbow Fnqikg, Crystal Kappa and Ser Substitutions within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl302 b:81.1 occ:1.00 OH A:TYR103 2.9 78.8 1.0 CE1 H:HIS114 3.4 76.4 1.0 N H:TYR110 3.5 68.0 1.0 CB H:GLN109 3.6 71.8 1.0 N H:GLN109 3.6 65.3 1.0 CE2 A:TYR103 3.7 78.7 1.0 CZ A:TYR103 3.7 76.3 1.0 CD2 H:TYR110 3.7 75.2 1.0 CD2 H:TYR108 3.9 63.2 1.0 CA H:GLN109 4.0 69.0 1.0 CB H:TYR108 4.1 62.9 1.0 O H:TYR32 4.2 85.8 1.0 NH2 A:ARG50 4.2 74.8 1.0 C H:GLN109 4.2 68.5 1.0 NE2 H:HIS114 4.2 78.2 1.0 C H:TYR108 4.3 65.5 1.0 ND1 H:HIS114 4.3 76.5 1.0 O A:LYS129 4.3 65.4 1.0 CB H:TYR110 4.4 71.7 1.0 CA H:TYR110 4.4 70.2 1.0 CG H:TYR110 4.5 74.5 1.0 OE1 H:GLN109 4.5 77.5 1.0 CG H:TYR108 4.5 61.6 1.0 CA H:TYR108 4.5 64.9 1.0 CE2 H:TYR110 4.5 75.7 1.0 CG H:GLN109 4.6 73.7 1.0 CE2 H:TYR108 4.9 63.0 1.0 C H:TYR110 4.9 70.0 1.0 CD2 A:TYR103 5.0 76.7 1.0 CD H:GLN109 5.0 77.5 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