Bromine in PDB 7xxn: Hapr Quadruple Mutant, Bound to Qstatin

The structure of Hapr Quadruple Mutant, Bound to Qstatin, PDB code: 7xxn was solved by G.Basu Choudhury, V.Chaudhari, S.Ray Chaudhuri, S.Datta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.61 / 2.45
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	89.638, 43.795, 53.445, 90, 90, 90
R / Rfree (%)	22.4 / 26.1

The binding sites of Bromine atom in the Hapr Quadruple Mutant, Bound to Qstatin (pdb code 7xxn). 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 Hapr Quadruple Mutant, Bound to Qstatin, PDB code: 7xxn:

Bromine binding site 1 out of 1 in the Hapr Quadruple Mutant, Bound to Qstatin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Hapr Quadruple Mutant, Bound to Qstatin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:89.5 occ:0.56 BR1 A:7Y3301 0.0 89.5 0.6 C3 A:7Y3301 1.9 60.8 0.6 C4 A:7Y3301 3.0 56.3 0.2 S2 A:7Y3301 3.1 62.9 0.8 CG A:MET101 3.5 34.8 1.0 CE2 A:PHE79 3.7 24.1 1.0 CB A:MET101 3.8 34.0 1.0 CE1 A:PHE76 3.9 41.4 1.0 CZ A:PHE79 4.2 30.2 1.0 CZ A:PHE116 4.3 34.8 1.0 SD A:MET101 4.3 48.5 1.0 CD2 A:PHE79 4.3 24.4 1.0 C5 A:7Y3301 4.4 49.2 0.2 C6 A:7Y3301 4.4 38.6 1.0 CG2 A:ILE97 4.5 20.4 1.0 CD1 A:LEU112 4.5 15.7 1.0 CD1 A:PHE76 4.7 52.2 1.0 CE2 A:PHE116 4.7 36.4 1.0 CZ A:PHE76 4.7 43.7 1.0 CB A:CYS171 4.8 25.0 1.0 O A:ILE97 4.8 30.2 1.0 SG A:CYS171 4.9 24.5 1.0 CA A:MET101 5.0 38.8 1.0

H.Sen, G.B.Choudhury, G.Pawar, Y.Sharma, S.E.Bhalerao, V.D.Chaudhari, S.Datta, S.Raychaudhuri. Diversity in the Ligand Binding Pocket of Hapr Attributes to Its Uniqueness Towards Several Inhibitors with Respect to Other Homologues - A Structural and Molecular Perspective. Int.J.Biol.Macromol. V. 233 23495 2023.
ISSN: ISSN 0141-8130
PubMed: 36739058
DOI: 10.1016/J.IJBIOMAC.2023.123495