Bromine in PDB 9f69: Crystal Structure of Human Triose Phosphate Isomerase with Methyl Malonic Acid Ligand

All present enzymatic activity of Crystal Structure of Human Triose Phosphate Isomerase with Methyl Malonic Acid Ligand:
4.2.3.3; 5.3.1.1;

The structure of Crystal Structure of Human Triose Phosphate Isomerase with Methyl Malonic Acid Ligand, PDB code: 9f69 was solved by Y.Y.Jonatansdottir, G.J.Hjorleifsson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.83 / 1.17
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	48.466, 48.466, 341.862, 90, 90, 120
R / Rfree (%)	14.7 / 18.4

The binding sites of Bromine atom in the Crystal Structure of Human Triose Phosphate Isomerase with Methyl Malonic Acid Ligand (pdb code 9f69). 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 Human Triose Phosphate Isomerase with Methyl Malonic Acid Ligand, PDB code: 9f69:

Bromine binding site 1 out of 1 in the Crystal Structure of Human Triose Phosphate Isomerase with Methyl Malonic Acid Ligand


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 Human Triose Phosphate Isomerase with Methyl Malonic Acid Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Br302 b:17.5 occ:1.00 H A:THR176 2.6 17.6 0.9 H A:THR176 2.6 18.3 0.1 HG1 A:THR176 2.9 26.5 0.1 HA A:LYS175 3.1 17.7 1.0 O A:HOH409 3.2 48.9 1.0 O A:HOH415 3.3 28.4 1.0 N A:THR176 3.4 14.6 0.9 N A:THR176 3.4 15.2 0.1 OG1 A:THR176 3.5 22.1 0.1 HB3 A:LYS175 3.6 18.9 1.0 HB A:THR176 3.7 19.0 0.9 HG2 A:LYS175 3.8 22.5 1.0 O A:THR176 3.8 17.9 0.1 O A:THR176 3.9 16.5 0.9 CA A:LYS175 3.9 14.7 1.0 CB A:LYS175 4.1 15.7 1.0 C A:LYS175 4.2 14.2 1.0 CA A:THR176 4.3 14.5 0.9 CA A:THR176 4.4 17.1 0.1 CG A:LYS175 4.4 18.8 1.0 CB A:THR176 4.4 15.8 0.9 CB A:THR176 4.5 19.7 0.1 C A:THR176 4.5 16.1 0.1 C A:THR176 4.5 15.5 0.9 O A:HOH639 4.6 47.7 1.0 HG22 A:THR176 4.6 24.4 0.1 HZ3 A:TRP169 4.7 20.2 1.0 O A:GLY174 4.8 15.2 1.0 HD3 A:LYS175 4.8 21.0 1.0 O A:HOH470 4.9 21.3 1.0 OG1 A:THR176 5.0 16.0 0.9

Y.Y.Jonatansdottir, O.Rolfsson, J.G.Hjorleifsson. Human Glycolysis Isomerases Are Inhibited By Weak Metabolite Modulators. Febs J. 2025.
ISSN: ISSN 1742-464X
PubMed: 40014465
DOI: 10.1111/FEBS.70049