Bromine in PDB 4i29: Binary Complex of Mouse Tdt with Ssdna and Mn++

All present enzymatic activity of Binary Complex of Mouse Tdt with Ssdna and Mn++:
2.7.7.31;

The structure of Binary Complex of Mouse Tdt with Ssdna and Mn++, PDB code: 4i29 was solved by J.Gouge, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.65 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.755, 84.923, 115.141, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 22.5

The structure of Binary Complex of Mouse Tdt with Ssdna and Mn++ also contains other interesting chemical elements:

Manganese	(Mn)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Bromine atom in the Binary Complex of Mouse Tdt with Ssdna and Mn++ (pdb code 4i29). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Binary Complex of Mouse Tdt with Ssdna and Mn++, PDB code: 4i29:

Bromine binding site 1 out of 1 in the Binary Complex of Mouse Tdt with Ssdna and Mn++


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Binary Complex of Mouse Tdt with Ssdna and Mn++ within 5.0Å range: probe atom residue distance (Å) B Occ C:Br3 b:59.2 occ:0.80 BR C:8BA3 0.0 59.2 0.8 C8 C:8BA3 2.0 49.7 1.0 N7 C:8BA3 2.8 48.8 1.0 N9 C:8BA3 2.9 42.4 1.0 OD2 A:ASP379 3.0 43.4 1.0 C1' C:8BA3 3.3 37.0 1.0 O A:HOH1049 3.4 47.6 1.0 O C:HOH108 3.6 59.9 1.0 CE1 A:PHE405 3.7 27.7 1.0 CD1 A:PHE405 3.8 27.6 1.0 C5 C:8BA3 3.9 45.5 1.0 C4 C:8BA3 4.0 42.3 1.0 O4' C:8BA3 4.0 35.3 1.0 CE A:MET288 4.1 33.6 1.0 CD1 A:LEU381 4.1 35.7 1.0 CG A:ASP379 4.1 37.7 1.0 CD2 A:LEU381 4.2 42.5 1.0 CG A:LEU381 4.4 36.1 1.0 C2' C:8BA3 4.6 37.9 1.0 CZ A:PHE405 4.8 25.9 1.0 OD1 A:ASP379 4.8 36.7 1.0

J.Gouge, S.Rosario, F.Romain, P.Beguin, M.Delarue. Structures of Intermediates Along the Catalytic Cycle of Terminal Deoxynucleotidyltransferase: Dynamical Aspects of the Two-Metal Ion Mechanism. J.Mol.Biol. V. 425 4334 2013.
ISSN: ISSN 0022-2836
PubMed: 23856622
DOI: 10.1016/J.JMB.2013.07.009