Iodine in PDB 5djc: Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F

The structure of Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F, PDB code: 5djc was solved by S.Atwell, A.Leaver-Fay, K.J.Froning, H.Aldaz, A.Pustilnik, F.Lu, F.Huang, R.Yuan, S.H.Dhanani, A.K.Chamberlain, J.R.Fitchett, B.Gutierrez, J.Hendle, E.Secrist, S.J.Demarest, B.Kuhlman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	60.242, 66.858, 72.771, 85.17, 80.71, 89.69
R / Rfree (%)	22.9 / 28.5

The binding sites of Iodine atom in the Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F (pdb code 5djc). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F, PDB code: 5djc:

Iodine binding site 1 out of 1 in the Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F within 5.0Å range: probe atom residue distance (Å) B Occ D:I509 b:35.7 occ:1.00 OG D:SER442 3.7 40.2 1.0 N D:SER442 4.0 35.3 1.0 C D:LEU441 4.1 37.3 1.0 CA D:LEU441 4.1 33.9 1.0 CB D:SER442 4.1 31.6 1.0 O D:SER440 4.2 34.0 1.0 N D:LEU441 4.2 33.1 1.0 C D:SER440 4.2 36.4 1.0 CB D:SER440 4.3 29.9 1.0 CG1 D:VAL422 4.4 19.8 1.0 CG2 D:VAL422 4.4 26.4 1.0 O D:LEU441 4.6 37.3 1.0 CA D:SER442 4.7 37.5 1.0 CA D:SER440 5.0 31.7 1.0 CB D:VAL422 5.0 23.3 1.0

A.Leaver-Fay, K.J.Froning, S.Atwell, H.Aldaz, A.Pustilnik, F.Lu, F.Huang, R.Yuan, S.Hassanali, A.K.Chamberlain, J.R.Fitchett, S.J.Demarest, B.Kuhlman. Computationally Designed Bispecific Antibodies Using Negative State Repertoires. Structure V. 24 641 2016.
ISSN: ISSN 0969-2126
PubMed: 26996964
DOI: 10.1016/J.STR.2016.02.013