Iodine in PDB 1hc9: Alpha-Bungarotoxin Complexed with High Affinity Peptide

The structure of Alpha-Bungarotoxin Complexed with High Affinity Peptide, PDB code: 1hc9 was solved by M.Harel, R.Kasher, J.L.Sussman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.47 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	42.042, 153.356, 73.263, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 23.5

The binding sites of Iodine atom in the Alpha-Bungarotoxin Complexed with High Affinity Peptide (pdb code 1hc9). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Alpha-Bungarotoxin Complexed with High Affinity Peptide, PDB code: 1hc9:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Alpha-Bungarotoxin Complexed with High Affinity Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Alpha-Bungarotoxin Complexed with High Affinity Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I1075 b:24.2 occ:0.40 O A:HOH2081 3.1 25.2 1.0 OG1 A:THR58 3.2 15.9 1.0 NE A:ARG25 3.7 21.8 1.0 O A:ARG25 3.7 14.3 1.0 CB A:THR58 3.9 16.9 1.0 N A:THR58 3.9 15.7 1.0 CB A:GLU56 4.0 20.1 0.5 O A:GLU56 4.0 18.6 0.5 CB A:GLU56 4.0 21.7 0.5 O A:GLU56 4.0 18.1 0.5 SD A:MET27 4.0 22.7 1.0 C A:GLU56 4.0 19.4 0.5 C A:GLU56 4.1 18.9 0.5 CG A:ARG25 4.1 12.9 1.0 C A:VAL57 4.2 16.6 1.0 CG A:MET27 4.2 19.0 1.0 N A:VAL57 4.2 17.0 1.0 CA A:VAL57 4.3 16.8 1.0 C A:ARG25 4.3 14.5 1.0 CD A:ARG25 4.4 16.2 1.0 CB A:ARG25 4.4 12.5 1.0 CB A:MET27 4.4 17.5 1.0 CA A:THR58 4.5 16.2 1.0 NH2 A:ARG25 4.5 26.2 1.0 OE1 A:GLU56 4.6 27.6 0.5 CZ A:ARG25 4.6 25.1 1.0 N A:MET27 4.6 16.1 1.0 CA A:GLU56 4.7 19.4 0.5 CA A:GLU56 4.7 20.2 0.5 O A:HOH2082 4.7 26.7 1.0 O A:VAL57 4.8 14.6 1.0 N A:LYS26 5.0 14.2 1.0

Iodine binding site 2 out of 2 in the Alpha-Bungarotoxin Complexed with High Affinity Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Alpha-Bungarotoxin Complexed with High Affinity Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:I1075 b:39.3 occ:0.40 OG1 B:THR58 3.3 31.3 1.0 NE B:ARG25 3.4 27.4 1.0 CG B:GLU56 3.5 39.6 0.5 OE1 B:GLU56 3.5 44.2 0.5 CE B:MET27 3.5 31.2 1.0 CD B:GLU56 3.6 41.8 0.5 O B:ARG25 3.8 19.1 1.0 CB B:THR58 3.9 27.4 1.0 O B:GLU56 4.0 32.2 0.5 O B:GLU56 4.0 31.9 0.5 CG B:ARG25 4.0 20.1 1.0 N B:THR58 4.1 26.3 1.0 CD B:ARG25 4.2 24.5 1.0 NH2 B:ARG25 4.2 30.5 1.0 C B:GLU56 4.2 33.7 0.5 C B:GLU56 4.2 33.5 0.5 CZ B:ARG25 4.2 29.8 1.0 C B:VAL57 4.3 29.8 1.0 CB B:ARG25 4.4 17.8 1.0 CB B:GLU56 4.4 35.8 0.5 CB B:GLU56 4.4 36.7 0.5 CG B:MET27 4.4 26.6 1.0 C B:ARG25 4.4 18.3 1.0 N B:VAL57 4.4 32.6 1.0 OE2 B:GLU56 4.4 43.9 0.5 CA B:VAL57 4.4 31.0 1.0 SD B:MET27 4.6 28.3 1.0 CA B:THR58 4.7 25.9 1.0 OE2 B:GLU56 4.9 41.8 0.5 CB B:MET27 4.9 22.0 1.0 O B:VAL57 4.9 28.2 1.0 N B:MET27 4.9 21.0 1.0 CA B:GLU56 5.0 35.1 0.5 CA B:GLU56 5.0 34.8 0.5

M.Harel, R.Kasher, A.Nicolas, J.M.Guss, M.Balass, M.Fridkin, A.B.Smit, K.Brejc, T.K.Sixma, E.Katchalski-Katzir, J.L.Sussman, S.Fuchs. The Binding Site of Acetylcholine Receptor As Visualized in the X-Ray Structure of A Complex Between Alpha-Bungarotoxin and A Mimotope Peptide. Neuron V. 32 265 2001.
ISSN: ISSN 0896-6273
PubMed: 11683996
DOI: 10.1016/S0896-6273(01)00461-5