Iodine in PDB 4bsv: Heterodimeric Fc Antibody Azymetric Variant 1

The structure of Heterodimeric Fc Antibody Azymetric Variant 1, PDB code: 4bsv was solved by M.D.L.Suits, T.Spreter, E.E.Cabrera, S.B.Dixit, P.I.Lario, D.K.Y.Poon, I.E.P.D'angelo, M.J.Boulanger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.38 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.540, 74.920, 148.920, 90.00, 90.00, 90.00
R / Rfree (%)	17.767 / 20.821

The binding sites of Iodine atom in the Heterodimeric Fc Antibody Azymetric Variant 1 (pdb code 4bsv). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Heterodimeric Fc Antibody Azymetric Variant 1, PDB code: 4bsv:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Heterodimeric Fc Antibody Azymetric Variant 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Heterodimeric Fc Antibody Azymetric Variant 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:I1460 b:18.3 occ:0.50 I B:IOD1461 0.0 17.9 0.5 OG B:SER254 3.5 21.2 0.5 O B:HOH2018 3.5 19.9 0.5 OG B:SER254 3.6 21.3 0.5 N B:SER254 3.9 18.8 0.5 CB B:SER254 3.9 19.7 0.5 CB B:SER254 4.0 18.8 0.5 N B:SER254 4.0 18.1 0.5 N B:ILE253 4.0 15.6 0.5 CB B:MET252 4.0 16.2 0.5 CB B:MET252 4.0 16.8 0.5 CG2 B:ILE253 4.0 19.2 0.5 N B:ILE253 4.0 15.7 0.5 O B:HOH2015 4.0 19.1 0.5 SD B:MET252 4.2 24.2 0.5 CA B:MET252 4.3 16.2 0.5 CA B:MET252 4.3 16.4 0.5 O B:HOH2229 4.3 48.5 0.5 SD B:MET252 4.3 22.1 0.5 C B:MET252 4.3 15.8 0.5 CG2 B:ILE253 4.4 18.2 0.5 C B:MET252 4.4 15.6 0.5 CA B:SER254 4.5 19.4 0.5 CG B:MET252 4.6 16.5 0.5 CA B:SER254 4.6 18.0 0.5 CG B:MET252 4.7 19.0 0.5 C B:ILE253 4.8 17.6 0.5 CA B:ILE253 4.8 17.5 0.5 CA B:ILE253 4.8 17.8 0.5 C B:ILE253 4.9 17.2 0.5 CB B:ILE253 5.0 17.4 0.5

Iodine binding site 2 out of 4 in the Heterodimeric Fc Antibody Azymetric Variant 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Heterodimeric Fc Antibody Azymetric Variant 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:I1461 b:17.9 occ:0.50 I B:IOD1460 0.0 18.3 0.5 OG B:SER254 3.5 21.2 0.5 O B:HOH2018 3.5 19.9 0.5 OG B:SER254 3.6 21.3 0.5 N B:SER254 3.9 18.8 0.5 CB B:SER254 3.9 19.7 0.5 CB B:SER254 3.9 18.8 0.5 N B:SER254 3.9 18.1 0.5 N B:ILE253 4.0 15.6 0.5 CB B:MET252 4.0 16.2 0.5 CB B:MET252 4.0 16.8 0.5 N B:ILE253 4.0 15.7 0.5 CG2 B:ILE253 4.0 19.2 0.5 O B:HOH2015 4.0 19.1 0.5 SD B:MET252 4.2 24.2 0.5 CA B:MET252 4.3 16.2 0.5 CA B:MET252 4.3 16.4 0.5 C B:MET252 4.3 15.8 0.5 O B:HOH2229 4.3 48.5 0.5 SD B:MET252 4.3 22.1 0.5 CG2 B:ILE253 4.3 18.2 0.5 C B:MET252 4.4 15.6 0.5 CA B:SER254 4.5 19.4 0.5 CG B:MET252 4.6 16.5 0.5 CA B:SER254 4.6 18.0 0.5 CG B:MET252 4.7 19.0 0.5 C B:ILE253 4.8 17.6 0.5 CA B:ILE253 4.8 17.5 0.5 CA B:ILE253 4.8 17.8 0.5 C B:ILE253 4.9 17.2 0.5 CB B:ILE253 5.0 17.4 0.5

Iodine binding site 3 out of 4 in the Heterodimeric Fc Antibody Azymetric Variant 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Heterodimeric Fc Antibody Azymetric Variant 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:I1462 b:23.3 occ:0.50 I B:IOD1462 0.0 23.3 0.5 I B:IOD1462 0.1 23.5 0.5 O B:HOH2169 3.3 22.4 0.5 O B:HOH2162 3.4 14.7 0.5 O B:HOH4125 3.5 21.1 0.5 CA B:GLY385 3.9 25.5 0.5 O B:HOH4119 4.0 14.9 0.5 CG B:GLU382 4.1 15.1 0.5 O B:HOH2214 4.1 14.2 0.5 CA B:GLY385 4.1 24.5 0.5 CG B:GLU382 4.2 19.4 0.5 C B:GLY385 4.3 23.9 0.5 C B:GLY385 4.4 25.4 0.5 O B:HOH4118 4.4 17.4 0.5 O B:GLY385 4.4 29.4 0.5 CB B:GLU382 4.5 14.7 0.5 N B:GLY385 4.6 23.2 0.5 CB B:GLU382 4.6 17.6 0.5 OE1 B:GLU382 4.6 16.0 0.5 O B:GLY385 4.7 30.3 0.5 CD B:GLU382 4.7 15.3 0.5 N B:GLY385 4.7 23.7 0.5 CD B:GLU382 4.8 21.1 0.5 N B:GLN386 4.9 22.5 0.5 OE2 B:GLU382 4.9 22.3 0.5 O B:HOH2160 4.9 21.2 0.5 N B:GLN386 5.0 25.1 0.5

Iodine binding site 4 out of 4 in the Heterodimeric Fc Antibody Azymetric Variant 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Heterodimeric Fc Antibody Azymetric Variant 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:I1462 b:23.5 occ:0.50 I B:IOD1462 0.0 23.5 0.5 I B:IOD1462 0.1 23.3 0.5 O B:HOH2162 3.4 14.7 0.5 O B:HOH2169 3.4 22.4 0.5 O B:HOH4125 3.7 21.1 0.5 O B:HOH4119 4.0 14.9 0.5 CA B:GLY385 4.0 25.5 0.5 O B:HOH2214 4.0 14.2 0.5 CG B:GLU382 4.1 15.1 0.5 CA B:GLY385 4.2 24.5 0.5 CG B:GLU382 4.2 19.4 0.5 C B:GLY385 4.4 23.9 0.5 O B:HOH4118 4.5 17.4 0.5 C B:GLY385 4.5 25.4 0.5 CB B:GLU382 4.6 14.7 0.5 O B:GLY385 4.6 29.4 0.5 N B:GLY385 4.6 23.2 0.5 OE1 B:GLU382 4.7 16.0 0.5 CB B:GLU382 4.7 17.6 0.5 CD B:GLU382 4.7 15.3 0.5 N B:GLY385 4.8 23.7 0.5 CD B:GLU382 4.8 21.1 0.5 O B:GLY385 4.8 30.3 0.5 OE2 B:GLU382 4.9 22.3 0.5

T.S.Von Kreudenstein, E.Escobar-Carbrera, P.I.Lario, I.D'angelo, K.Brault, J.Kelly, Y.Durocher, J.Baardsnes, R.J.Woods, M.H.Xie, P.Girod, M.D.L.Suits, M.J.Boulanger, D.K.Y.Poon, G.Y.K.Ng, S.B.Dixit. Improving Biophysical Properties of A Bispecific Antibody Scaffold to Aid Developability: Quality By Molecular Design. Mabs V. 5 646 2013.
ISSN: ISSN 1942-0862
PubMed: 23924797
DOI: 10.4161/MABS.25632