Bromine in PDB 2jaw: Crystal Structure of D41N Variant of Human Mitochondrial 5'(3')- Deoxyribonucleotidase (Mdn) in Complex with 5-Bromovinyldeoxyuridine 5'-Monophosphate

The structure of Crystal Structure of D41N Variant of Human Mitochondrial 5'(3')- Deoxyribonucleotidase (Mdn) in Complex with 5-Bromovinyldeoxyuridine 5'-Monophosphate, PDB code: 2jaw was solved by K.Wallden, B.Ruzzenente, V.Bianchi, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.86 / 1.95
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	73.604, 73.604, 106.374, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 21.6

The structure of Crystal Structure of D41N Variant of Human Mitochondrial 5'(3')- Deoxyribonucleotidase (Mdn) in Complex with 5-Bromovinyldeoxyuridine 5'-Monophosphate also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Bromine atom in the Crystal Structure of D41N Variant of Human Mitochondrial 5'(3')- Deoxyribonucleotidase (Mdn) in Complex with 5-Bromovinyldeoxyuridine 5'-Monophosphate (pdb code 2jaw). 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 Crystal Structure of D41N Variant of Human Mitochondrial 5'(3')- Deoxyribonucleotidase (Mdn) in Complex with 5-Bromovinyldeoxyuridine 5'-Monophosphate, PDB code: 2jaw:

Bromine binding site 1 out of 1 in the Crystal Structure of D41N Variant of Human Mitochondrial 5'(3')- Deoxyribonucleotidase (Mdn) in Complex with 5-Bromovinyldeoxyuridine 5'-Monophosphate


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of D41N Variant of Human Mitochondrial 5'(3')- Deoxyribonucleotidase (Mdn) in Complex with 5-Bromovinyldeoxyuridine 5'-Monophosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1228 b:73.0 occ:1.00 BR A:BVP1228 0.0 73.0 1.0 C5B A:BVP1228 1.9 55.3 1.0 C5A A:BVP1228 2.7 46.4 1.0 OG A:SER78 3.4 29.2 1.0 O A:HOH2042 3.9 29.7 1.0 CD1 A:ILE93 4.0 20.3 1.0 CB A:SER78 4.0 27.2 1.0 CG1 A:ILE93 4.1 19.8 1.0 C5 A:BVP1228 4.1 43.3 1.0 CZ2 A:TRP96 4.4 17.9 1.0 C6 A:BVP1228 4.7 42.2 1.0 O A:HOH2088 4.7 16.3 1.0

K.Wallden, A.Rinaldo-Matthis, B.Ruzzenente, C.Rampazzo, V.Bianchi, P.Nordlund. Crystal Structures of Human and Murine Deoxyribonucleotidases: Insights Into Recognition of Substrates and Nucleotide Analogues. Biochemistry V. 46 13809 2007.
ISSN: ISSN 0006-2960
PubMed: 17985935
DOI: 10.1021/BI7014794