Iodine in PDB 1a6w: B1-8 Fv Fragment Complexed with A (4-Hydroxy-5-Iodo-3- Nitrophenyl) Acetate Compound

The structure of B1-8 Fv Fragment Complexed with A (4-Hydroxy-5-Iodo-3- Nitrophenyl) Acetate Compound, PDB code: 1a6w was solved by T.Simon, K.Henrick, M.Hirshberg, G.Winter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.270, 83.510, 40.230, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / n/a

The binding sites of Iodine atom in the B1-8 Fv Fragment Complexed with A (4-Hydroxy-5-Iodo-3- Nitrophenyl) Acetate Compound (pdb code 1a6w). 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 B1-8 Fv Fragment Complexed with A (4-Hydroxy-5-Iodo-3- Nitrophenyl) Acetate Compound, PDB code: 1a6w:

Iodine binding site 1 out of 1 in the B1-8 Fv Fragment Complexed with A (4-Hydroxy-5-Iodo-3- Nitrophenyl) Acetate Compound


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of B1-8 Fv Fragment Complexed with A (4-Hydroxy-5-Iodo-3- Nitrophenyl) Acetate Compound within 5.0Å range: probe atom residue distance (Å) B Occ H:I430 b:31.8 occ:1.00 I5 H:NIP430 0.0 31.8 1.0 C5 H:NIP430 2.1 27.2 1.0 C4 H:NIP430 3.1 27.5 1.0 C6 H:NIP430 3.1 25.9 1.0 O4 H:NIP430 3.2 25.4 1.0 NH2 H:ARG350 4.2 23.4 1.0 OH H:TYR401 4.2 18.2 0.5 C1 H:NIP430 4.4 25.5 1.0 C3 H:NIP430 4.4 26.6 1.0 CH2 H:TRP333 4.4 24.3 1.0 CE1 H:TYR401 4.4 17.2 0.5 CZ3 H:TRP333 4.5 25.4 1.0 CZ2 L:TRP93 4.5 19.7 1.0 CE H:LYS359 4.5 28.3 0.5 CZ H:TYR401 4.7 17.5 0.5 C2 H:NIP430 4.9 24.0 1.0

T.Simon, K.Henrick, M.Hirshberg, G.Winter. X-Ray Structures of Fv Fragment and Its (4-Hydroxy-3-Nitrophenyl)Acetate Complex of Murine B1-8 Antibody To Be Published.