Arsenic in PDB 4eg1: Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Substrate Methionine

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

The structure of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Substrate Methionine, PDB code: 4eg1 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 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.037, 105.935, 207.180, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.4

The binding sites of Arsenic atom in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Substrate Methionine (pdb code 4eg1). 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 Substrate Methionine, PDB code: 4eg1:
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 Substrate Methionine


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 Substrate Methionine within 5.0Å range: probe atom residue distance (Å) B Occ A:As470 b:52.2 occ:0.40 AS A:CAS470 0.0 52.2 0.4 CE2 A:CAS470 2.0 52.9 0.4 CE1 A:CAS470 2.0 53.0 0.4 SG A:CAS470 2.2 52.1 1.0 CB A:CAS470 3.4 50.4 1.0 O A:ALA460 3.7 49.6 1.0 N A:PRO462 3.9 45.2 1.0 CD A:PRO462 4.0 46.4 1.0 O A:HIS469 4.0 50.8 1.0 CA A:PRO462 4.1 45.2 1.0 CG A:PRO462 4.1 47.3 1.0 CA A:CAS470 4.2 49.0 1.0 C A:ALA460 4.2 48.0 1.0 O A:ASN458 4.4 57.9 1.0 C A:ILE461 4.4 44.9 1.0 CA A:ASN458 4.5 59.0 1.0 C A:ASN458 4.5 57.7 1.0 CB A:PRO462 4.5 46.5 1.0 N A:CAS470 4.6 49.3 1.0 C A:HIS469 4.6 50.5 1.0 N A:ALA460 4.6 50.1 1.0 CG A:ARG453 4.7 58.6 1.0 CB A:ALA460 4.8 48.4 1.0 O A:ILE461 4.8 44.9 1.0 CD A:ARG453 4.8 61.2 1.0 CA A:ALA460 4.8 48.6 1.0 N A:ILE461 4.8 46.3 1.0 O A:PRO467 4.9 56.5 1.0 CB A:ARG453 4.9 56.1 1.0 CB A:ASN458 5.0 60.9 1.0

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


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 Substrate Methionine within 5.0Å range: probe atom residue distance (Å) B Occ B:As470 b:55.9 occ:0.30 AS B:CAS470 0.0 55.9 0.3 CE2 B:CAS470 2.0 55.6 0.3 CE1 B:CAS470 2.0 59.9 0.3 SG B:CAS470 2.2 53.3 1.0 CB B:CAS470 3.4 51.4 1.0 NH1 B:ARG453 3.8 77.3 1.0 CG B:ARG453 3.9 73.5 1.0 O B:ALA460 4.0 53.8 1.0 CZ B:ARG453 4.0 77.8 1.0 C B:ALA460 4.1 52.3 1.0 CB B:ALA460 4.2 52.4 1.0 N B:PRO462 4.2 54.6 1.0 CB B:PRO462 4.2 57.5 1.0 CA B:PRO462 4.2 55.1 1.0 N B:ALA460 4.3 55.4 1.0 CA B:CAS470 4.3 50.8 1.0 NE B:ARG453 4.4 78.0 1.0 CA B:ALA460 4.4 52.8 1.0 C B:ASN458 4.4 64.7 1.0 C B:ILE461 4.5 52.0 1.0 NH2 B:ARG453 4.5 78.0 1.0 O B:ASN458 4.5 64.3 1.0 CA B:ASN458 4.5 68.7 1.0 CG B:PRO462 4.6 57.9 1.0 CD B:ARG453 4.7 75.9 1.0 N B:ILE461 4.7 50.9 1.0 O B:ILE461 4.7 51.8 1.0 O B:HIS469 4.8 54.3 1.0 CD B:PRO462 4.8 56.4 1.0 N B:CAS470 4.8 53.0 1.0 CB B:ARG453 4.9 72.4 1.0 N B:TRP459 4.9 60.9 1.0 OD1 B:ASN458 4.9 73.3 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