Chlorine in PDB 8t58: Structure of Vhh-Fab Complex with Engineered Fnqikg Elbow Region

The structure of Structure of Vhh-Fab Complex with Engineered Fnqikg Elbow Region, PDB code: 8t58 was solved by E.V.Filippova, A.A.Kossiakoff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.73 / 2.23
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.771, 119.826, 82.244, 90, 93.35, 90
R / Rfree (%)	18.2 / 22.5

The binding sites of Chlorine atom in the Structure of Vhh-Fab Complex with Engineered Fnqikg Elbow Region (pdb code 8t58). 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 Fnqikg Elbow Region, PDB code: 8t58:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Vhh-Fab Complex with Engineered Fnqikg Elbow Region


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 Fnqikg Elbow Region within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:37.3 occ:1.00 O C:HOH419 3.0 47.4 1.0 O A:HOH228 3.0 37.8 1.0 OH A:TYR103 3.0 38.3 1.0 N C:TYR110 3.3 38.5 1.0 N C:GLN109 3.5 36.1 1.0 CE1 C:HIS114 3.6 34.4 1.0 CD2 C:TYR110 3.7 41.0 1.0 CB C:GLN109 3.8 37.9 1.0 CD2 C:TYR108 3.9 36.3 1.0 CZ A:TYR103 3.9 37.2 1.0 CB C:TYR108 3.9 35.2 1.0 CE2 A:TYR103 3.9 37.2 1.0 CA C:GLN109 4.0 37.5 1.0 CB C:TYR110 4.0 39.7 1.0 C C:GLN109 4.1 38.9 1.0 CA C:TYR110 4.2 39.0 1.0 C C:TYR108 4.2 35.2 1.0 CG C:TYR110 4.3 40.8 1.0 NH2 A:ARG50 4.4 42.3 1.0 CG C:TYR108 4.4 35.4 1.0 O A:LYS129 4.4 35.6 1.0 CA C:TYR108 4.4 35.3 1.0 ND1 C:HIS114 4.4 33.8 1.0 NE2 C:HIS114 4.5 34.4 1.0 O C:TYR32 4.5 45.0 1.0 CG C:GLN109 4.7 38.2 1.0 CE2 C:TYR110 4.7 42.9 1.0 C C:TYR110 4.8 38.5 1.0 OE1 C:GLN109 4.9 38.8 1.0 CE2 C:TYR108 5.0 35.9 1.0

Chlorine binding site 2 out of 2 in the Structure of Vhh-Fab Complex with Engineered Fnqikg Elbow Region


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 Fnqikg Elbow Region within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl301 b:42.6 occ:1.00 O F:HOH457 2.9 37.6 1.0 OH D:TYR103 3.0 41.9 1.0 N F:TYR110 3.3 39.0 1.0 N F:GLN109 3.5 37.8 1.0 CE1 F:HIS114 3.5 40.1 1.0 CD2 F:TYR110 3.7 41.5 1.0 CE2 D:TYR103 3.8 40.2 1.0 CB F:GLN109 3.8 39.2 1.0 CZ D:TYR103 3.8 40.3 1.0 CD2 F:TYR108 3.8 37.4 1.0 CB F:TYR108 3.9 37.5 1.0 CA F:GLN109 4.0 39.0 1.0 CB F:TYR110 4.0 40.1 1.0 C F:GLN109 4.2 39.6 1.0 CA F:TYR110 4.2 39.4 1.0 C F:TYR108 4.2 37.4 1.0 CG F:TYR110 4.3 41.5 1.0 NH2 D:ARG50 4.3 47.3 1.0 ND1 F:HIS114 4.4 40.1 1.0 CG F:TYR108 4.4 37.3 1.0 NE2 F:HIS114 4.4 39.8 1.0 CA F:TYR108 4.4 37.1 1.0 O D:LYS129 4.5 42.4 1.0 O F:TYR32 4.5 49.2 1.0 CE2 F:TYR110 4.7 41.8 1.0 CG F:GLN109 4.7 40.1 1.0 OE1 F:GLN109 4.8 41.1 1.0 C F:TYR110 4.8 39.4 1.0 CE2 F:TYR108 4.9 38.2 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