Magnesium in PDB 4tqf: Crystal Structure of the C-Terminal Domain of Ifrs Bound with 2-(5- Bromothienyl)-L-Ala and Atp

All present enzymatic activity of Crystal Structure of the C-Terminal Domain of Ifrs Bound with 2-(5- Bromothienyl)-L-Ala and Atp:
6.1.1.26;

The structure of Crystal Structure of the C-Terminal Domain of Ifrs Bound with 2-(5- Bromothienyl)-L-Ala and Atp, PDB code: 4tqf was solved by A.Nakamura, P.O'donoghue, D.Soll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.20 / 2.71
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	105.110, 105.110, 70.290, 90.00, 90.00, 120.00
R / Rfree (%)	16.8 / 21.1

The structure of Crystal Structure of the C-Terminal Domain of Ifrs Bound with 2-(5- Bromothienyl)-L-Ala and Atp also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of the C-Terminal Domain of Ifrs Bound with 2-(5- Bromothienyl)-L-Ala and Atp (pdb code 4tqf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the C-Terminal Domain of Ifrs Bound with 2-(5- Bromothienyl)-L-Ala and Atp, PDB code: 4tqf:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the C-Terminal Domain of Ifrs Bound with 2-(5- Bromothienyl)-L-Ala and Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the C-Terminal Domain of Ifrs Bound with 2-(5- Bromothienyl)-L-Ala and Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:62.0 occ:1.00 O2B A:ATP503 2.7 61.9 1.0 O A:HOH655 2.7 76.3 1.0 O2G A:ATP503 2.8 69.0 1.0 O A:HOH653 2.8 66.3 1.0 O A:HOH652 2.9 71.4 1.0 O A:HOH654 2.9 67.4 1.0 PB A:ATP503 3.7 62.7 1.0 PG A:ATP503 3.7 65.6 1.0 O3B A:ATP503 3.8 66.7 1.0 NH1 A:ARG330 3.8 62.3 1.0 OE2 A:GLU283 3.9 96.9 1.0 OE2 A:GLU332 3.9 70.0 1.0 OE1 A:GLN287 4.0 79.9 1.0 O3G A:ATP503 4.1 81.7 1.0 OE1 A:GLU332 4.2 69.5 1.0 NE2 A:GLN287 4.3 69.5 1.0 O1B A:ATP503 4.5 88.2 1.0 CD A:GLU283 4.5 0.5 1.0 CD A:GLU332 4.5 65.6 1.0 OE1 A:GLU283 4.6 0.6 1.0 CD A:GLN287 4.6 68.9 1.0 NE2 A:HIS338 4.6 67.6 1.0 CD2 A:HIS338 4.8 66.2 1.0 N7 A:ATP503 4.9 62.7 1.0 CD A:ARG330 5.0 55.5 1.0 O3A A:ATP503 5.0 79.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the C-Terminal Domain of Ifrs Bound with 2-(5- Bromothienyl)-L-Ala and Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the C-Terminal Domain of Ifrs Bound with 2-(5- Bromothienyl)-L-Ala and Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:78.8 occ:1.00 O1B A:ATP503 2.6 88.2 1.0 OG A:SER399 2.7 76.9 1.0 O A:HOH656 2.7 88.1 1.0 O1A A:ATP503 2.7 71.0 1.0 O A:HOH657 2.7 99.4 1.0 OE2 A:GLU396 2.9 73.0 1.0 CB A:SER399 3.2 56.1 1.0 OE1 A:GLU396 3.3 79.3 1.0 O3A A:ATP503 3.3 79.1 1.0 CD A:GLU396 3.4 75.2 1.0 PA A:ATP503 3.5 54.2 1.0 PB A:ATP503 3.5 62.7 1.0 O A:HOH651 3.7 66.4 1.0 OD2 A:ASP389 4.1 76.6 1.0 O2A A:ATP503 4.2 59.4 1.0 O2B A:ATP503 4.5 61.9 1.0 CA A:SER399 4.5 65.8 1.0 O3B A:ATP503 4.6 66.7 1.0 CG A:GLU396 4.8 61.9 1.0 O5' A:ATP503 4.8 65.6 1.0 N A:SER399 4.9 62.7 1.0 OD1 A:ASP389 4.9 81.3 1.0 CG A:ASP389 4.9 70.8 1.0 O3G A:ATP503 5.0 81.7 1.0

L.T.Guo, Y.S.Wang, A.Nakamura, D.Eiler, J.Kavran, M.Wong, L.Kiessling, T.Steitz, P.O'donoghue, D.Soll. Polyspecific Pyrrolysyl-Trna Synthetases From Directed Evolution Proc.Natl.Acad.Sci.Usa 2014.
ISSN: ESSN 1091-6490