Iodine in PDB 2zxv: Crystal Structure of Putative Acetyltransferase From T. Thermophilus HB8

All present enzymatic activity of Crystal Structure of Putative Acetyltransferase From T. Thermophilus HB8:
2.3.1.128;

The structure of Crystal Structure of Putative Acetyltransferase From T. Thermophilus HB8, PDB code: 2zxv was solved by K.Murayama, M.Kato-Murayama, T.Terada, S.Kuramitsu, M.Shirouzu, S.Yokoyama, Riken Structural Genomics/Proteomics Initiative(Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.13 / 2.30
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	127.800, 127.800, 122.100, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 26.6

The binding sites of Iodine atom in the Crystal Structure of Putative Acetyltransferase From T. Thermophilus HB8 (pdb code 2zxv). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Crystal Structure of Putative Acetyltransferase From T. Thermophilus HB8, PDB code: 2zxv:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Crystal Structure of Putative Acetyltransferase From T. Thermophilus HB8


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 Putative Acetyltransferase From T. Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:I35 b:92.8 occ:1.00 IE A:IYR35 0.0 92.8 1.0 CE A:IYR35 2.1 79.4 1.0 CF A:IYR35 3.0 79.6 1.0 CD A:IYR35 3.0 72.2 1.0 OF A:IYR35 3.2 81.6 1.0 O A:PHE26 3.6 48.0 1.0 CD1 A:TYR30 3.7 72.9 1.0 CE1 A:PHE97 3.9 37.0 1.0 CA A:TYR30 4.1 61.5 1.0 CB A:PHE26 4.1 38.1 1.0 CD1 A:PHE26 4.3 39.1 1.0 CA A:PHE26 4.3 40.1 1.0 C A:PHE26 4.3 45.3 1.0 CG A:IYR35 4.3 75.6 1.0 CC A:IYR35 4.3 64.3 1.0 CD1 A:PHE97 4.5 38.1 1.0 CB A:TYR30 4.5 64.3 1.0 O A:HIS29 4.5 62.7 1.0 CE1 A:TYR30 4.5 74.8 1.0 CG A:TYR30 4.6 70.3 1.0 CE A:MET95 4.6 51.8 1.0 CG A:PHE26 4.7 38.9 1.0 N A:TYR30 4.7 60.2 1.0 CH A:IYR35 4.8 68.6 1.0 CD2 A:LEU50 4.8 49.2 1.0 C A:HIS29 4.9 60.5 1.0 N A:ASP31 4.9 56.6 1.0

Iodine binding site 2 out of 4 in the Crystal Structure of Putative Acetyltransferase From T. Thermophilus HB8


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 Putative Acetyltransferase From T. Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:I35 b:82.6 occ:1.00 IE B:IYR35 0.0 82.6 1.0 CE B:IYR35 2.1 64.8 1.0 CF B:IYR35 3.0 64.2 1.0 CD B:IYR35 3.0 58.9 1.0 OF B:IYR35 3.2 64.2 1.0 O B:PHE26 3.5 39.3 1.0 CD1 B:TYR30 3.7 68.9 1.0 CA B:TYR30 4.2 61.2 1.0 CE1 B:PHE97 4.3 43.7 1.0 CG B:IYR35 4.3 58.5 1.0 CC B:IYR35 4.3 51.9 1.0 CE1 B:TYR30 4.3 68.8 1.0 C B:PHE26 4.5 38.6 1.0 O B:HIS29 4.5 59.5 1.0 CB B:PHE26 4.6 37.4 1.0 CA B:PHE26 4.6 37.2 1.0 CG B:TYR30 4.7 72.1 1.0 CB B:TYR30 4.7 67.1 1.0 CD1 B:PHE26 4.8 45.0 1.0 N B:ASP31 4.8 59.4 1.0 CH B:IYR35 4.8 52.7 1.0 CD2 B:LEU50 4.8 40.6 1.0 CD1 B:PHE97 4.9 45.6 1.0 N B:TYR30 5.0 63.2 1.0 C B:TYR30 5.0 59.2 1.0

Iodine binding site 3 out of 4 in the Crystal Structure of Putative Acetyltransferase From T. Thermophilus HB8


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 Putative Acetyltransferase From T. Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ C:I35 b:0.5 occ:1.00 IE C:IYR35 0.0 0.5 1.0 CE C:IYR35 2.1 95.8 1.0 CF C:IYR35 3.0 94.6 1.0 CD C:IYR35 3.0 90.7 1.0 OF C:IYR35 3.2 95.4 1.0 O C:HIS29 3.3 63.8 1.0 O C:PHE26 3.6 47.0 1.0 CD1 C:TYR30 3.7 60.8 1.0 CA C:TYR30 3.7 59.6 1.0 CE1 C:PHE97 4.1 25.6 1.0 C C:HIS29 4.2 57.9 1.0 CG C:IYR35 4.3 90.1 1.0 CB C:TYR30 4.3 59.1 1.0 CC C:IYR35 4.3 81.4 1.0 N C:TYR30 4.4 58.5 1.0 N C:ASP31 4.4 62.9 1.0 C C:PHE26 4.5 47.3 1.0 CG C:TYR30 4.5 60.6 1.0 CB C:PHE26 4.5 44.4 1.0 CA C:PHE26 4.5 43.6 1.0 CE1 C:TYR30 4.6 62.5 1.0 CD1 C:PHE97 4.6 34.1 1.0 C C:TYR30 4.6 61.4 1.0 CD2 C:LEU50 4.6 65.0 1.0 CD2 C:PHE26 4.8 43.7 1.0 CH C:IYR35 4.8 84.7 1.0

Iodine binding site 4 out of 4 in the Crystal Structure of Putative Acetyltransferase From T. Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Putative Acetyltransferase From T. Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ D:I35 b:94.0 occ:1.00 IE D:IYR35 0.0 94.0 1.0 CE D:IYR35 2.1 78.3 1.0 CF D:IYR35 3.0 76.5 1.0 CD D:IYR35 3.0 69.8 1.0 OF D:IYR35 3.2 73.0 1.0 CD1 D:TYR30 3.7 59.2 1.0 O D:HIS29 3.9 51.2 1.0 O D:PHE26 4.0 50.8 1.0 CA D:TYR30 4.1 53.9 1.0 CG D:IYR35 4.3 71.2 1.0 CD2 D:PHE26 4.3 39.6 1.0 CC D:IYR35 4.3 59.5 1.0 CB D:PHE26 4.4 50.0 1.0 CE1 D:TYR30 4.4 59.9 1.0 CE1 D:PHE97 4.4 38.3 1.0 CA D:PHE26 4.6 53.8 1.0 N D:ASP31 4.6 55.5 1.0 CG D:TYR30 4.6 57.5 1.0 CB D:TYR30 4.7 55.8 1.0 C D:HIS29 4.7 52.2 1.0 C D:PHE26 4.7 54.5 1.0 CG D:PHE26 4.8 40.5 1.0 CH D:IYR35 4.8 63.1 1.0 CE D:MET95 4.8 32.6 1.0 N D:TYR30 4.9 53.3 1.0 CG1 D:VAL34 4.9 40.5 1.0 CD2 D:LEU50 4.9 71.1 1.0 CD1 D:PHE97 5.0 34.5 1.0 C D:TYR30 5.0 54.4 1.0

K.Sakamoto, K.Murayama, K.Oki, F.Iraha, M.Kato-Murayama, M.Takahashi, K.Ohtake, T.Kobayashi, S.Kuramitsu, M.Shirouzu, S.Yokoyama. Genetic Encoding of 3-Iodo-L-Tyrosine in Escherichia Coli For Single-Wavelength Anomalous Dispersion Phasing in Protein Crystallography Structure V. 17 335 2009.
ISSN: ISSN 0969-2126
PubMed: 19278648
DOI: 10.1016/J.STR.2009.01.008