Chlorine in PDB 9mi7: Crystal Structure of Adi-64597 ((Human Fab, with Substituted IGG1-CH1 (Hc-L128R and K147R) and Substituted Kappa Constant Domain (Lc-Q124E, V133Q, and T178R))

The structure of Crystal Structure of Adi-64597 ((Human Fab, with Substituted IGG1-CH1 (Hc-L128R and K147R) and Substituted Kappa Constant Domain (Lc-Q124E, V133Q, and T178R)), PDB code: 9mi7 was solved by M.B.Battles, M.Welin, M.Laursen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.29 / 2.22
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	65.983, 65.983, 97.431, 90, 90, 120
R / Rfree (%)	18 / 23

The binding sites of Chlorine atom in the Crystal Structure of Adi-64597 ((Human Fab, with Substituted IGG1-CH1 (Hc-L128R and K147R) and Substituted Kappa Constant Domain (Lc-Q124E, V133Q, and T178R)) (pdb code 9mi7). 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 Adi-64597 ((Human Fab, with Substituted IGG1-CH1 (Hc-L128R and K147R) and Substituted Kappa Constant Domain (Lc-Q124E, V133Q, and T178R)), PDB code: 9mi7:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Adi-64597 ((Human Fab, with Substituted IGG1-CH1 (Hc-L128R and K147R) and Substituted Kappa Constant Domain (Lc-Q124E, V133Q, and T178R))


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 Adi-64597 ((Human Fab, with Substituted IGG1-CH1 (Hc-L128R and K147R) and Substituted Kappa Constant Domain (Lc-Q124E, V133Q, and T178R)) within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl302 b:78.5 occ:1.00 N H:VAL127 3.3 53.0 1.0 O H:VAL127 3.7 56.8 1.0 CA H:SER126 4.0 50.8 1.0 C H:SER126 4.2 48.4 1.0 CA H:VAL127 4.2 49.3 1.0 CB H:VAL127 4.3 54.1 1.0 C H:VAL127 4.4 52.9 1.0 CG1 H:VAL213 4.5 67.3 1.0 CB H:SER126 4.5 50.1 1.0 NZ H:LYS215 4.5 77.3 1.0 CG2 H:VAL127 4.6 48.1 1.0 CE H:LYS215 4.6 63.9 1.0 CG2 H:VAL213 4.6 60.7 1.0 O H:PRO125 4.7 44.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Adi-64597 ((Human Fab, with Substituted IGG1-CH1 (Hc-L128R and K147R) and Substituted Kappa Constant Domain (Lc-Q124E, V133Q, and T178R))


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 Adi-64597 ((Human Fab, with Substituted IGG1-CH1 (Hc-L128R and K147R) and Substituted Kappa Constant Domain (Lc-Q124E, V133Q, and T178R)) within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl303 b:98.3 occ:1.00 N H:VAL158 3.2 45.6 1.0 O H:VAL158 3.6 54.7 1.0 O H:HOH409 3.6 50.4 1.0 CA H:THR157 3.6 54.2 1.0 CG2 H:THR171 3.7 49.5 1.0 C H:THR157 3.9 50.5 1.0 CB H:THR157 4.1 52.9 1.0 CA H:VAL158 4.2 52.0 1.0 CG2 H:THR157 4.3 55.6 1.0 CB H:THR171 4.3 47.4 1.0 C H:VAL158 4.3 52.9 1.0 O H:VAL156 4.3 45.6 0.5 OG1 H:THR171 4.4 54.0 1.0 O H:VAL156 4.4 45.2 0.5 CB H:VAL158 4.5 48.4 1.0 N H:THR157 4.8 48.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Adi-64597 ((Human Fab, with Substituted IGG1-CH1 (Hc-L128R and K147R) and Substituted Kappa Constant Domain (Lc-Q124E, V133Q, and T178R))


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 Adi-64597 ((Human Fab, with Substituted IGG1-CH1 (Hc-L128R and K147R) and Substituted Kappa Constant Domain (Lc-Q124E, V133Q, and T178R)) within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl302 b:104.7 occ:1.00 O L:LYS188 3.7 81.2 1.0 C L:HIS189 3.8 68.0 1.0 C L:LYS188 4.0 70.1 1.0 CA L:HIS189 4.0 75.6 1.0 N L:HIS189 4.0 76.5 1.0 N L:LYS190 4.1 70.7 1.0 O L:HIS189 4.1 80.0 1.0 NH2 L:ARG211 4.1 77.4 1.0 O L:GLU187 4.3 84.8 1.0 CB L:LYS190 4.4 71.7 1.0 CA L:LYS190 4.6 69.9 1.0 CA L:LYS188 4.9 72.0 1.0

K.A.Barlow, M.B.Battles, M.E.Brown, K.Canfield, X.Lu, H.Lynaugh, M.Morrill, C.G.Rappazzo, S.P.Reyes, C.Sandberg, B.Sharkey, C.Strong, J.Zhao, A.Sivasubramanian. Design of Orthogonal Constant Domain Interfaces to Aid Proper Heavy/Light Chain Pairing of Bispecific Antibodies. Mabs V. 17 79531 2025.
ISSN: ESSN 1942-0870
PubMed: 40126074
DOI: 10.1080/19420862.2025.2479531