Iodine in PDB 4rym: Crystal Structure of Bctspo Iodo TYPE1 Monomer

The structure of Crystal Structure of Bctspo Iodo TYPE1 Monomer, PDB code: 4rym was solved by Y.Guo, Q.Liu, W.A.Hendrickson, New York Consortium On Membrane Proteinstructure (Nycomps), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.05 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.356, 49.538, 99.213, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 27.2

The binding sites of Iodine atom in the Crystal Structure of Bctspo Iodo TYPE1 Monomer (pdb code 4rym). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Crystal Structure of Bctspo Iodo TYPE1 Monomer, PDB code: 4rym:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of Bctspo Iodo TYPE1 Monomer


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Bctspo Iodo TYPE1 Monomer within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:30.0 occ:0.60 SG A:CYS107 0.9 77.3 1.0 CB A:CYS107 2.8 61.1 1.0 CA A:CYS107 3.9 51.8 1.0 CZ2 A:TRP51 3.9 61.8 1.0 CB A:ALA142 4.1 49.5 1.0 CH2 A:TRP51 4.2 53.1 1.0 CB A:VAL110 4.2 52.8 1.0 CG1 A:VAL110 4.2 46.6 1.0 CG2 A:VAL110 4.2 54.1 1.0 CD1 A:PHE90 4.5 58.3 1.0 CG A:PHE90 4.6 50.9 1.0 O A:CYS107 4.7 43.6 1.0 CE1 A:PHE90 4.7 66.5 1.0 C A:CYS107 4.8 46.4 1.0 CA A:SER139 4.9 43.5 1.0 O A:SER139 4.9 46.0 1.0 N A:CYS107 5.0 58.3 1.0 CB A:PHE90 5.0 56.9 1.0 CD2 A:PHE90 5.0 72.6 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of Bctspo Iodo TYPE1 Monomer


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Bctspo Iodo TYPE1 Monomer within 5.0Å range: probe atom residue distance (Å) B Occ A:I202 b:30.0 occ:0.20 CE2 A:TYR150 2.1 80.6 1.0 OH A:TYR150 2.6 0.6 1.0 CZ A:TYR150 2.8 96.3 1.0 CD2 A:TYR150 3.3 58.0 1.0 NE1 A:TRP147 4.1 56.3 1.0 CE1 A:TYR150 4.1 79.2 1.0 OG A:SER151 4.4 0.2 1.0 CG A:TYR150 4.5 63.5 1.0 CD1 A:TRP147 4.6 68.2 1.0 CD1 A:TYR150 4.8 67.8 1.0 CD1 A:PHE101 4.8 67.4 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of Bctspo Iodo TYPE1 Monomer


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Bctspo Iodo TYPE1 Monomer within 5.0Å range: probe atom residue distance (Å) B Occ A:I203 b:30.0 occ:0.20 CE1 A:TYR32 1.8 60.5 1.0 OH A:TYR32 2.4 61.1 1.0 CZ A:TYR32 2.5 67.7 1.0 CD1 A:TYR32 3.0 78.3 1.0 CD1 A:ILE149 3.3 51.8 1.0 NE2 A:GLN94 3.4 93.8 1.0 CE2 A:TYR32 3.8 70.1 1.0 CG A:TYR32 4.2 64.8 1.0 CD2 A:TYR32 4.5 59.9 1.0 CD A:GLN94 4.7 93.4 1.0 CG1 A:ILE149 4.8 40.9 1.0 CD A:LYS37 5.0 65.5 1.0

Y.Guo, R.C.Kalathur, Q.Liu, B.Kloss, R.Bruni, C.Ginter, E.Kloppmann, B.Rost, W.A.Hendrickson. Protein Structure. Structure and Activity of Tryptophan-Rich Tspo Proteins. Science V. 347 551 2015.
ISSN: ISSN 0036-8075
PubMed: 25635100
DOI: 10.1126/SCIENCE.AAA1534