Bromine in PDB 4g6w: Human Thymidylate Synthase M190K with Bound 4-Bromobenzene-1,2,3-Triol

All present enzymatic activity of Human Thymidylate Synthase M190K with Bound 4-Bromobenzene-1,2,3-Triol:
2.1.1.45;

The structure of Human Thymidylate Synthase M190K with Bound 4-Bromobenzene-1,2,3-Triol, PDB code: 4g6w was solved by L.R.Celeste, L.Lebioda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.846, 95.846, 80.525, 90.00, 90.00, 120.00
R / Rfree (%)	22.2 / 26.4

The binding sites of Bromine atom in the Human Thymidylate Synthase M190K with Bound 4-Bromobenzene-1,2,3-Triol (pdb code 4g6w). 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 Human Thymidylate Synthase M190K with Bound 4-Bromobenzene-1,2,3-Triol, PDB code: 4g6w:

Bromine binding site 1 out of 1 in the Human Thymidylate Synthase M190K with Bound 4-Bromobenzene-1,2,3-Triol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human Thymidylate Synthase M190K with Bound 4-Bromobenzene-1,2,3-Triol within 5.0Å range: probe atom residue distance (Å) B Occ X:Br600 b:55.0 occ:0.25 BR X:PBX600 0.0 55.0 0.2 C4 X:PBX600 1.9 49.3 0.2 C3 X:PBX600 2.8 48.5 0.2 O3 X:PBX600 2.8 45.4 0.2 C5 X:PBX600 2.9 48.7 0.2 CZ2 X:TRP182 3.3 42.3 1.0 O X:PRO193 3.4 57.9 1.0 NE1 X:TRP182 3.8 41.6 1.0 CE2 X:TRP182 3.9 39.8 1.0 C2 X:PBX600 4.1 48.5 0.2 C6 X:PBX600 4.1 48.9 0.2 CH2 X:TRP182 4.4 41.2 1.0 C X:PRO193 4.6 59.7 1.0 C1 X:PBX600 4.6 49.3 0.2 CA X:PRO194 4.9 57.4 1.0 N X:CSD195 4.9 44.5 1.0

L.R.Celeste, L.L.Lovelace, L.Lebioda. Oxidation of Cysteine 195 of Huyman Thymidylate Synthase By Purpurogallin To Be Published 2012.