Iodine in PDB 4bsw: Heterodimeric Fc Antibody Azymetric Variant 2

The structure of Heterodimeric Fc Antibody Azymetric Variant 2, PDB code: 4bsw 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)	36.26 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.677, 74.715, 148.870, 90.00, 90.00, 90.00
R / Rfree (%)	19.999 / 25.937

The binding sites of Iodine atom in the Heterodimeric Fc Antibody Azymetric Variant 2 (pdb code 4bsw). 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 2, PDB code: 4bsw:
Jump to Iodine binding site number: 1; 2; 3; 4;

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


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1447 b:48.1 occ:0.50 I A:IOD1447 0.0 48.1 0.5 I A:IOD1447 0.1 48.6 0.5 O A:HOH2009 3.2 27.7 0.5 O A:HOH2008 3.4 30.4 0.5 NH2 A:ARG255 3.7 35.0 0.5 NH2 A:ARG255 3.7 34.3 0.5 O A:HOH2011 3.8 19.9 0.5 CB A:LYS248 3.9 32.2 0.5 CB A:LYS248 4.0 31.6 0.5 CB A:LYS246 4.0 38.9 0.5 CD A:LYS248 4.1 33.0 0.5 CB A:LYS246 4.2 37.7 0.5 CD A:LYS248 4.4 31.3 0.5 OD1 A:ASP249 4.5 36.1 0.5 CG A:LYS248 4.5 31.3 0.5 CG A:LYS246 4.5 37.1 0.5 CZ A:ARG255 4.5 33.5 0.5 CZ A:ARG255 4.5 33.2 0.5 OD1 A:ASP249 4.6 36.7 0.5 CG A:LYS246 4.7 32.4 0.5 CG A:LYS248 4.7 29.4 0.5 NE A:ARG255 4.8 33.6 0.5 OD2 A:ASP249 4.9 35.2 0.5 NE A:ARG255 4.9 33.9 0.5 CG A:ASP249 4.9 33.8 0.5 CG A:ASP249 4.9 33.7 0.5 OD2 A:ASP249 5.0 35.3 0.5 CD A:LYS246 5.0 35.6 0.5 CD A:LYS246 5.0 42.1 0.5

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


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1447 b:48.6 occ:0.50 I A:IOD1447 0.0 48.6 0.5 I A:IOD1447 0.1 48.1 0.5 O A:HOH2009 3.3 27.7 0.5 O A:HOH2008 3.4 30.4 0.5 NH2 A:ARG255 3.6 35.0 0.5 NH2 A:ARG255 3.7 34.3 0.5 O A:HOH2011 3.7 19.9 0.5 CB A:LYS248 3.9 32.2 0.5 CB A:LYS246 4.0 38.9 0.5 CB A:LYS248 4.0 31.6 0.5 CD A:LYS248 4.1 33.0 0.5 CB A:LYS246 4.1 37.7 0.5 CD A:LYS248 4.4 31.3 0.5 OD1 A:ASP249 4.4 36.1 0.5 CG A:LYS246 4.5 37.1 0.5 CZ A:ARG255 4.5 33.5 0.5 CZ A:ARG255 4.5 33.2 0.5 CG A:LYS248 4.5 31.3 0.5 OD1 A:ASP249 4.5 36.7 0.5 CG A:LYS246 4.6 32.4 0.5 CG A:LYS248 4.7 29.4 0.5 OD2 A:ASP249 4.8 35.2 0.5 NE A:ARG255 4.8 33.6 0.5 NE A:ARG255 4.9 33.9 0.5 CG A:ASP249 4.9 33.8 0.5 CG A:ASP249 4.9 33.7 0.5 OD2 A:ASP249 4.9 35.3 0.5 CD A:LYS246 5.0 35.6 0.5 CD A:LYS246 5.0 42.1 0.5

Iodine binding site 3 out of 4 in the Heterodimeric Fc Antibody Azymetric Variant 2


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1451 b:37.7 occ:0.50 OG A:SER254 3.2 36.6 0.5 N A:SER254 3.5 28.3 0.5 N A:ILE253 3.6 27.9 0.5 N A:SER254 3.7 30.3 0.5 N A:ILE253 3.8 30.7 0.5 CB A:SER254 3.9 32.3 0.5 O A:HOH2016 3.9 33.5 0.5 CB A:MET252 4.0 36.8 0.5 C A:MET252 4.0 31.9 0.5 CB A:MET252 4.1 38.4 0.5 CG2 A:ILE253 4.1 28.1 0.5 OG A:SER254 4.1 32.8 0.5 CB A:SER254 4.1 32.8 0.5 C A:MET252 4.1 34.2 0.5 CE A:MET252 4.2 43.5 0.5 O A:HOH2014 4.2 43.6 0.5 CG2 A:ILE253 4.2 35.0 0.5 CA A:MET252 4.3 33.1 0.5 CA A:MET252 4.3 34.8 0.5 CA A:SER254 4.3 33.5 0.5 CA A:ILE253 4.4 28.1 0.5 C A:ILE253 4.4 26.6 0.5 O A:HOH2015 4.4 38.3 0.5 O A:HOH2033 4.4 37.0 0.5 CE A:MET252 4.5 40.0 0.5 CA A:SER254 4.5 35.6 0.5 CA A:ILE253 4.6 31.2 0.5 C A:ILE253 4.6 30.2 0.5 CB A:ILE253 4.7 29.4 0.5 O A:MET252 4.9 28.0 0.5 CB A:ILE253 4.9 31.9 0.5 CG A:MET252 4.9 40.4 0.5 O A:MET252 5.0 28.6 0.5

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


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:I1449 b:31.6 occ:0.50 OG B:SER254 3.5 35.6 0.5 OG B:SER254 3.6 36.2 0.5 CB B:MET252 3.8 31.8 0.5 O B:HOH2016 3.8 26.0 0.5 CB B:MET252 3.8 32.3 0.5 N B:ILE253 3.9 36.7 0.5 N B:SER254 3.9 44.5 0.5 N B:ILE253 3.9 36.4 0.5 CB B:SER254 3.9 36.8 0.5 N B:SER254 3.9 42.5 0.5 CB B:SER254 4.0 37.2 0.5 CA B:MET252 4.1 35.1 0.5 CA B:MET252 4.1 35.5 0.5 C B:MET252 4.2 36.4 0.5 C B:MET252 4.2 36.5 0.5 SD B:MET252 4.2 45.3 0.5 CG2 B:ILE253 4.2 33.3 0.5 CG2 B:ILE253 4.3 33.2 0.5 SD B:MET252 4.3 46.7 0.5 O B:HOH2015 4.4 39.6 0.5 CG B:MET252 4.6 38.5 0.5 CG B:MET252 4.6 39.0 0.5 CA B:SER254 4.6 38.4 0.5 CA B:SER254 4.6 39.9 0.5 CA B:ILE253 4.7 39.6 0.5 CA B:ILE253 4.7 39.2 0.5 C B:ILE253 4.8 40.6 0.5 C B:ILE253 4.8 41.5 0.5 O B:MET252 5.0 33.2 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