Iodine in PDB 1wq3: Escherichia Coli Tyrosyl-Trna Synthetase Mutant Complexed with 3-Iodo- L-Tyrosine

All present enzymatic activity of Escherichia Coli Tyrosyl-Trna Synthetase Mutant Complexed with 3-Iodo- L-Tyrosine:
6.1.1.1;

The structure of Escherichia Coli Tyrosyl-Trna Synthetase Mutant Complexed with 3-Iodo- L-Tyrosine, PDB code: 1wq3 was solved by T.Kobayashi, K.Sakamoto, O.Nureki, T.Takimura, K.Kamata, R.Sekine, S.Nishimura, S.Yokoyama, Riken Structural Genomics/Proteomicsinitiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.46 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	82.911, 82.911, 93.442, 90.00, 90.00, 120.00
R / Rfree (%)	16.8 / 21.9

The binding sites of Iodine atom in the Escherichia Coli Tyrosyl-Trna Synthetase Mutant Complexed with 3-Iodo- L-Tyrosine (pdb code 1wq3). 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 Escherichia Coli Tyrosyl-Trna Synthetase Mutant Complexed with 3-Iodo- L-Tyrosine, PDB code: 1wq3:

Iodine binding site 1 out of 1 in the Escherichia Coli Tyrosyl-Trna Synthetase Mutant Complexed with 3-Iodo- L-Tyrosine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Escherichia Coli Tyrosyl-Trna Synthetase Mutant Complexed with 3-Iodo- L-Tyrosine within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:31.4 occ:1.00 IE A:IYR501 0.0 31.4 1.0 CE A:IYR501 2.1 26.6 1.0 CD A:IYR501 3.0 21.9 1.0 CF A:IYR501 3.0 24.0 1.0 OF A:IYR501 3.1 26.2 1.0 SG A:CYS195 3.6 26.2 1.0 O A:HOH595 3.7 25.9 1.0 O A:HOH670 3.7 29.4 1.0 N A:GLY39 3.8 19.6 1.0 CG2 A:VAL37 4.1 21.6 1.0 CA A:GLY39 4.1 20.6 1.0 NE2 A:GLN179 4.2 20.3 1.0 CG1 A:VAL37 4.3 20.2 1.0 CG A:IYR501 4.4 25.0 1.0 CC A:IYR501 4.4 23.7 1.0 C A:CYS38 4.4 23.4 1.0 CD A:GLN179 4.7 24.4 1.0 CA A:CYS38 4.8 23.9 1.0 CG A:GLN179 4.8 22.2 1.0 CB A:VAL37 4.9 21.4 1.0 CH A:IYR501 4.9 23.5 1.0 CD2 A:LEU71 5.0 25.5 1.0

T.Kobayashi, K.Sakamoto, T.Takimura, R.Sekine, K.Vincent, K.Kamata, S.Nishimura, S.Yokoyama. Structural Basis of Nonnatural Amino Acid Recognition By An Engineered Aminoacyl-Trna Synthetase For Genetic Code Expansion Proc.Natl.Acad.Sci.Usa V. 102 1366 2005.
ISSN: ISSN 0027-8424
PubMed: 15671170
DOI: 10.1073/PNAS.0407039102