Bromine in PDB 9mfn: Crystal Structure of Adi-64596 (Human Fab, with Substituted IGG1-CH1 (Hc-L145Q, K147E, and S181E) and Substituted Kappa Constant Domain (Lc-T129R, T178R, and T180Q))

The structure of Crystal Structure of Adi-64596 (Human Fab, with Substituted IGG1-CH1 (Hc-L145Q, K147E, and S181E) and Substituted Kappa Constant Domain (Lc-T129R, T178R, and T180Q)), PDB code: 9mfn 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)	48.99 / 2.35
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	65.594, 65.594, 96.795, 90, 90, 120
R / Rfree (%)	20.8 / 22.1

The binding sites of Bromine atom in the Crystal Structure of Adi-64596 (Human Fab, with Substituted IGG1-CH1 (Hc-L145Q, K147E, and S181E) and Substituted Kappa Constant Domain (Lc-T129R, T178R, and T180Q)) (pdb code 9mfn). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Crystal Structure of Adi-64596 (Human Fab, with Substituted IGG1-CH1 (Hc-L145Q, K147E, and S181E) and Substituted Kappa Constant Domain (Lc-T129R, T178R, and T180Q)), PDB code: 9mfn:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Crystal Structure of Adi-64596 (Human Fab, with Substituted IGG1-CH1 (Hc-L145Q, K147E, and S181E) and Substituted Kappa Constant Domain (Lc-T129R, T178R, and T180Q))


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Adi-64596 (Human Fab, with Substituted IGG1-CH1 (Hc-L145Q, K147E, and S181E) and Substituted Kappa Constant Domain (Lc-T129R, T178R, and T180Q)) within 5.0Å range: probe atom residue distance (Å) B Occ H:Br301 b:122.9 occ:1.00 O H:HOH415 2.9 54.2 1.0 O H:VAL156 3.3 52.4 0.6 O H:VAL156 3.3 53.1 0.4 CD2 H:LEU184 3.6 48.1 1.0 OE1 H:GLU154 3.9 43.4 1.0 N H:VAL156 3.9 50.4 0.4 N H:VAL156 3.9 49.9 0.6 CG2 H:VAL156 4.1 47.7 0.6 C H:VAL156 4.3 49.6 0.6 C H:VAL156 4.3 49.8 0.4 CB H:PRO155 4.5 40.1 1.0 OE2 H:GLU154 4.5 53.1 1.0 CD H:GLU154 4.6 54.7 1.0 OH H:TYR151 4.6 34.5 1.0 CA H:VAL156 4.6 48.3 0.4 CA H:VAL156 4.6 47.8 0.6 CA H:PRO155 4.8 44.5 1.0 C H:PRO155 4.9 47.8 1.0 CB H:VAL156 4.9 49.9 0.4 O H:PHE172 4.9 43.5 1.0

Bromine binding site 2 out of 3 in the Crystal Structure of Adi-64596 (Human Fab, with Substituted IGG1-CH1 (Hc-L145Q, K147E, and S181E) and Substituted Kappa Constant Domain (Lc-T129R, T178R, and T180Q))


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Adi-64596 (Human Fab, with Substituted IGG1-CH1 (Hc-L145Q, K147E, and S181E) and Substituted Kappa Constant Domain (Lc-T129R, T178R, and T180Q)) within 5.0Å range: probe atom residue distance (Å) B Occ H:Br302 b:131.8 occ:1.00 O H:ASN210 3.8 62.2 1.0 O H:SER209 3.8 47.7 1.0 CB H:ASN210 4.5 76.0 1.0 ND2 H:ASN210 4.5 103.1 1.0 C H:ASN210 4.6 62.5 1.0 CG H:ASN210 4.9 92.5 1.0 C H:SER209 5.0 54.1 1.0

Bromine binding site 3 out of 3 in the Crystal Structure of Adi-64596 (Human Fab, with Substituted IGG1-CH1 (Hc-L145Q, K147E, and S181E) and Substituted Kappa Constant Domain (Lc-T129R, T178R, and T180Q))


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Adi-64596 (Human Fab, with Substituted IGG1-CH1 (Hc-L145Q, K147E, and S181E) and Substituted Kappa Constant Domain (Lc-T129R, T178R, and T180Q)) within 5.0Å range: probe atom residue distance (Å) B Occ L:Br301 b:133.7 occ:1.00 O L:PHE91 4.0 93.0 1.0 CD2 L:LEU94 4.9 87.6 1.0 C L:PHE91 5.0 93.7 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