Arsenic in PDB 4eg3: Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Product Methionyl-Adenylate

All present enzymatic activity of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Product Methionyl-Adenylate:
6.1.1.10;

The structure of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Product Methionyl-Adenylate, PDB code: 4eg3 was solved by C.Y.Koh, J.E.Kim, S.Shibata, E.Fan, C.L.M.J.Verlinde, W.G.J.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.477, 105.908, 208.445, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 26.6

The binding sites of Arsenic atom in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Product Methionyl-Adenylate (pdb code 4eg3). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Product Methionyl-Adenylate, PDB code: 4eg3:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Product Methionyl-Adenylate


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Product Methionyl-Adenylate within 5.0Å range: probe atom residue distance (Å) B Occ A:As470 b:57.5 occ:0.40 AS A:CAS470 0.0 57.5 0.4 CE1 A:CAS470 2.0 58.5 0.4 CE2 A:CAS470 2.0 58.5 0.4 SG A:CAS470 2.2 57.1 1.0 CB A:CAS470 3.1 56.0 1.0 O A:ALA460 3.2 55.3 1.0 O A:HIS469 3.8 54.9 1.0 CA A:CAS470 4.0 54.9 1.0 C A:ALA460 4.1 55.1 1.0 CA A:PRO462 4.1 54.6 1.0 N A:PRO462 4.2 55.2 1.0 N A:CAS470 4.3 53.9 1.0 C A:HIS469 4.4 54.3 1.0 CG A:ARG453 4.4 67.1 1.0 CG A:PRO462 4.4 57.5 1.0 C A:ILE461 4.5 54.2 1.0 O A:ASN458 4.5 62.0 1.0 N A:ALA460 4.5 56.5 1.0 C A:ASN458 4.5 61.4 1.0 CA A:ASN458 4.5 63.5 1.0 CD A:ARG453 4.6 69.7 1.0 CB A:PRO462 4.6 56.3 1.0 CD A:PRO462 4.6 56.5 1.0 O A:ILE461 4.7 53.1 1.0 CA A:ALA460 4.7 55.1 1.0 O A:PRO467 4.8 61.8 1.0 CB A:ARG453 4.9 64.0 1.0 CB A:ALA460 4.9 53.6 1.0

Arsenic binding site 2 out of 2 in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Product Methionyl-Adenylate


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Product Methionyl-Adenylate within 5.0Å range: probe atom residue distance (Å) B Occ B:As470 b:64.5 occ:0.40 AS B:CAS470 0.0 64.5 0.4 CE1 B:CAS470 2.0 68.4 0.4 CE2 B:CAS470 2.0 68.5 0.4 SG B:CAS470 2.2 66.0 1.0 CB B:CAS470 3.1 63.3 1.0 CA B:CAS470 3.7 61.0 1.0 CG B:ARG453 3.8 85.8 1.0 CZ B:ARG453 3.9 87.1 1.0 NH1 B:ARG453 3.9 86.4 1.0 NE B:ARG453 4.0 87.9 1.0 CD B:PRO462 4.0 62.4 1.0 O B:HIS469 4.0 63.2 1.0 N B:PRO462 4.0 60.2 1.0 CA B:PRO462 4.0 61.1 1.0 CG B:PRO462 4.1 64.1 1.0 CD B:ARG453 4.2 87.0 1.0 N B:CAS470 4.3 62.2 1.0 C B:HIS469 4.3 63.6 1.0 C B:ILE461 4.4 58.3 1.0 NH2 B:ARG453 4.4 87.5 1.0 CB B:ARG453 4.4 84.8 1.0 O B:ALA460 4.4 60.1 1.0 CB B:PRO462 4.5 63.3 1.0 O B:ILE461 4.5 58.6 1.0 CA B:ARG453 4.6 83.0 1.0 C B:ALA460 4.7 59.7 1.0 O B:PRO467 4.8 76.8 1.0

C.Y.Koh, J.E.Kim, S.Shibata, R.M.Ranade, M.Yu, J.Liu, J.R.Gillespie, F.S.Buckner, C.L.Verlinde, E.Fan, W.G.Hol. Distinct States of Methionyl-Trna Synthetase Indicate Inhibitor Binding By Conformational Selection. Structure V. 20 1681 2012.
ISSN: ISSN 0969-2126
PubMed: 22902861
DOI: 10.1016/J.STR.2012.07.011