Chlorine in PDB 6qkd: Crystal Structure of Vhh-Based Fab-Fragment of Antibody Bcd-085

The structure of Crystal Structure of Vhh-Based Fab-Fragment of Antibody Bcd-085, PDB code: 6qkd was solved by O.S.Kostareva, I.A.Kolyadenko, A.B.Ulitin, V.M.Ekimova, S.R.Evdokimov, M.B.Garber, T.V.Tishchenko, A.G.Gabdulkhakov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.60 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	90.560, 111.920, 165.430, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 22.8

The binding sites of Chlorine atom in the Crystal Structure of Vhh-Based Fab-Fragment of Antibody Bcd-085 (pdb code 6qkd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Vhh-Based Fab-Fragment of Antibody Bcd-085, PDB code: 6qkd:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Vhh-Based Fab-Fragment of Antibody Bcd-085


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Vhh-Based Fab-Fragment of Antibody Bcd-085 within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl302 b:67.1 occ:1.00 OG I:SER62 3.2 46.9 1.0 N I:SER62 3.2 44.2 1.0 O I:HOH432 3.4 49.9 1.0 CB I:SER62 3.5 43.5 1.0 N I:ASP61 3.6 43.0 1.0 CB I:ASP61 3.8 44.2 1.0 CB I:ALA60 3.9 35.7 1.0 CA I:SER62 4.0 43.2 1.0 CA I:ASP61 4.0 43.5 1.0 C I:ASP61 4.1 44.7 1.0 C I:ALA60 4.3 39.7 1.0 CA I:ALA60 4.5 33.6 1.0 CE L:LYS145 4.6 74.0 1.0 CG I:ASP61 4.9 55.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Vhh-Based Fab-Fragment of Antibody Bcd-085


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Vhh-Based Fab-Fragment of Antibody Bcd-085 within 5.0Å range: probe atom residue distance (Å) B Occ K:Cl303 b:75.4 occ:1.00 N K:GLY118 3.2 34.0 1.0 CA K:GLY118 4.0 30.9 1.0 CA K:LYS117 4.1 40.2 1.0 C K:LYS117 4.1 34.0 1.0 OG1 K:THR205 4.4 46.1 1.0 CB K:SER203 4.4 32.4 1.0 OG K:SER203 4.7 30.2 1.0 O K:THR116 4.8 40.7 1.0 CG K:LYS117 4.8 41.1 1.0 CB K:LYS117 5.0 37.5 1.0 O K:GLY118 5.0 33.9 1.0 C K:GLY118 5.0 33.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Vhh-Based Fab-Fragment of Antibody Bcd-085


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Vhh-Based Fab-Fragment of Antibody Bcd-085 within 5.0Å range: probe atom residue distance (Å) B Occ T:Cl302 b:84.2 occ:1.00 N T:SER12 3.0 32.7 1.0 O T:SER12 3.6 35.0 1.0 CA T:LEU11 3.8 38.0 1.0 CB T:SER12 3.8 40.4 1.0 CA T:SER12 3.8 34.5 1.0 C T:LEU11 3.8 35.2 1.0 C T:SER12 4.1 33.6 1.0 CD2 T:LEU11 4.4 37.9 1.0 O T:THR10 4.5 43.9 1.0 CB T:LEU11 4.7 42.2 1.0 N T:LEU11 4.7 39.2 1.0 C T:THR10 4.9 41.7 1.0 O T:LEU11 5.0 38.2 1.0

O.S.Kostareva, I.A.Kolyadenko, A.B.Ulitin, V.M.Ekimova, S.R.Evdokimov, M.B.Garber, T.V.Tishchenko, A.G.Gabdulkhakov. Fab Fragment of Vhh-Based Antibody Netakimab: Crystal Structure and Modeling Interaction with Cytokine Il-17A Crystals 2019.
ISSN: ESSN 2073-4352
DOI: 10.3390/CRYST9030177