Bromine in PDB 7gyb: Crystal Structure of HSP72 in Complex with Ligand 10 at 9.12 Mgy X-Ray Dose.

The structure of Crystal Structure of HSP72 in Complex with Ligand 10 at 9.12 Mgy X-Ray Dose., PDB code: 7gyb was solved by M.Cabry, M.J.Rodrigues, Y.V.Le Bihan, R.L.M.Van Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.76 / 1.92
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.93, 89.67, 97.18, 90, 90, 90
R / Rfree (%)	16.8 / 21.7

The structure of Crystal Structure of HSP72 in Complex with Ligand 10 at 9.12 Mgy X-Ray Dose. also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Bromine atom in the Crystal Structure of HSP72 in Complex with Ligand 10 at 9.12 Mgy X-Ray Dose. (pdb code 7gyb). 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 HSP72 in Complex with Ligand 10 at 9.12 Mgy X-Ray Dose., PDB code: 7gyb:

Bromine binding site 1 out of 1 in the Crystal Structure of HSP72 in Complex with Ligand 10 at 9.12 Mgy X-Ray Dose.


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 HSP72 in Complex with Ligand 10 at 9.12 Mgy X-Ray Dose. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:32.8 occ:0.04 BR8 A:GBA403 0.0 32.8 0.0 C8 A:GBA403 1.9 32.3 1.0 N7 A:GBA403 2.8 32.8 1.0 N9 A:GBA403 2.8 31.0 1.0 O4' A:GBA403 3.2 39.9 1.0 O A:HOH666 3.3 49.9 1.0 C1' A:GBA403 3.3 35.8 1.0 NH1 A:ARG272 3.3 57.4 1.0 NH2 A:ARG272 3.4 49.9 1.0 CZ A:ARG272 3.5 68.3 1.0 C2' A:GBA403 3.6 38.5 1.0 O A:HOH628 3.6 47.0 1.0 C5' A:GBA403 3.8 49.2 1.0 CA A:GLY339 3.9 23.5 1.0 C4' A:GBA403 3.9 42.4 1.0 C5 A:GBA403 3.9 31.8 1.0 O A:HOH678 4.0 41.4 1.0 C4 A:GBA403 4.0 31.2 1.0 O A:HOH920 4.1 59.3 1.0 NE A:ARG272 4.3 60.0 1.0 OD2 A:ASP366 4.3 61.2 1.0 C3' A:GBA403 4.3 39.8 1.0 C A:GLY339 4.6 27.1 1.0 N A:GLY339 4.7 23.1 1.0 O A:HOH773 4.7 66.4 1.0 O2' A:GBA403 4.7 37.8 1.0 CG A:ASP366 5.0 47.9 1.0

M.J.Rodrigues, M.Cabry, G.Collie, M.Carter, C.Mcandrew, R.L.Owen, B.R.Bellenie, Y.-V.Le Bihan, R.L.M.Van Montfort. Specific Radiation Damage to Halogenated Inhibitors and Ligands in Protein-Ligand Crystal Structures J.Appl.Crystallogr. V. 57 1951 2024.
ISSN: ESSN 1600-5767
DOI: 10.1107/S1600576724010549