Bromine in PDB 5o0j: Adp-Dependent Glucokinase From Pyrococcus Horikoshii

All present enzymatic activity of Adp-Dependent Glucokinase From Pyrococcus Horikoshii:
2.7.1.147;

The structure of Adp-Dependent Glucokinase From Pyrococcus Horikoshii, PDB code: 5o0j was solved by P.Grudnik, G.Dubin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.98 / 1.81
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.838, 74.714, 62.951, 90.00, 99.46, 90.00
R / Rfree (%)	16.1 / 20.2

The binding sites of Bromine atom in the Adp-Dependent Glucokinase From Pyrococcus Horikoshii (pdb code 5o0j). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Adp-Dependent Glucokinase From Pyrococcus Horikoshii, PDB code: 5o0j:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Adp-Dependent Glucokinase From Pyrococcus Horikoshii


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Adp-Dependent Glucokinase From Pyrococcus Horikoshii within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:32.5 occ:0.80 BR8 A:8BR501 0.0 32.5 0.8 C8 A:8BR501 1.9 29.9 1.0 N7 A:8BR501 2.8 23.8 1.0 N9 A:8BR501 2.9 19.0 1.0 O A:HOH691 2.9 31.7 1.0 O4' A:8BR501 3.2 19.5 1.0 C1' A:8BR501 3.4 17.9 1.0 CE2 A:TYR347 3.6 44.0 1.0 C3' A:8BR501 3.6 18.8 1.0 OH A:TYR347 3.7 47.3 1.0 C4' A:8BR501 3.7 16.9 1.0 C5' A:8BR501 3.7 23.6 1.0 C2' A:8BR501 3.8 18.7 1.0 CZ A:TYR347 3.8 41.7 1.0 CG2 A:THR438 3.9 22.2 1.0 C5 A:8BR501 3.9 20.4 1.0 C4 A:8BR501 4.0 21.1 1.0 CB A:THR438 4.1 19.7 1.0 CD2 A:TYR347 4.4 48.9 1.0 O A:GLU198 4.4 23.2 1.0 CD1 A:ILE441 4.5 22.1 1.0 CG A:GLU198 4.7 24.9 1.0 CE1 A:TYR347 4.7 30.6 1.0 O5' A:8BR501 4.9 20.9 1.0 O3' A:8BR501 5.0 16.9 1.0

Bromine binding site 2 out of 2 in the Adp-Dependent Glucokinase From Pyrococcus Horikoshii


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Adp-Dependent Glucokinase From Pyrococcus Horikoshii within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:55.6 occ:0.79 BR8 A:8BR502 0.0 55.6 0.8 C8 A:8BR502 1.9 37.9 0.8 N7 A:8BR502 2.8 25.0 0.8 N9 A:8BR502 2.8 25.0 0.8 C1' A:8BR502 3.3 32.1 0.8 O A:HOH743 3.5 27.7 1.0 C5 A:8BR502 3.9 21.6 0.8 C4 A:8BR502 4.0 24.4 0.8 O A:HOH603 4.0 37.6 1.0 O4' A:8BR502 4.1 35.2 0.8 CE1 A:PHE272 4.2 24.5 1.0 CG A:PRO67 4.4 49.7 1.0 CG A:LEU66 4.4 64.5 1.0 CZ A:PHE272 4.4 28.4 1.0 CD A:PRO67 4.4 54.6 1.0 C2' A:8BR502 4.4 21.5 0.8 O2' A:8BR502 4.5 25.0 0.8 O A:PRO67 4.6 63.0 1.0 CB A:LEU66 4.8 61.4 1.0 CB A:PRO274 4.8 21.2 1.0

P.Grudnik, M.M.Kaminski, K.P.Rembacz, K.Kuska, M.Madej, J.Potempa, M.Dawidowski, G.Dubin. Structural Basis For Adp-Dependent Glucokinase Inhibition By 8-Bromo-Substituted Adenosine Nucleotide. J. Biol. Chem. V. 293 11088 2018.
ISSN: ESSN 1083-351X
PubMed: 29784881
DOI: 10.1074/JBC.RA117.001562