Bromine in PDB 5nb7: Complement Factor D

All present enzymatic activity of Complement Factor D:
3.4.21.46;

The structure of Complement Factor D, PDB code: 5nb7 was solved by A.Mac Sweeney, N.Ostermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.07 / 1.33
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.801, 49.884, 39.088, 90.00, 106.08, 90.00
R / Rfree (%)	14 / 19.6

The binding sites of Bromine atom in the Complement Factor D (pdb code 5nb7). 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 Complement Factor D, PDB code: 5nb7:

Bromine binding site 1 out of 1 in the Complement Factor D


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Complement Factor D within 5.0Å range: probe atom residue distance (Å) B Occ A:Br303 b:14.6 occ:1.00 BR1 A:8NQ303 0.0 14.6 1.0 C21 A:8NQ303 1.9 13.8 1.0 N6 A:8NQ303 2.8 12.1 1.0 C20 A:8NQ303 2.8 12.3 1.0 O A:TRP141 3.1 12.2 1.0 CA A:GLY142 3.7 12.7 1.0 CD2 A:HIS40 3.7 12.0 1.0 O A:HOH488 3.8 14.7 1.0 CG A:ARG151 3.8 17.6 1.0 N A:ILE143 3.9 14.6 1.0 C A:GLY142 3.9 14.4 1.0 C A:TRP141 4.0 11.1 1.0 C17 A:8NQ303 4.0 11.0 1.0 C19 A:8NQ303 4.1 12.7 1.0 CA A:GLY193 4.1 10.5 1.0 O A:LYS192 4.2 14.7 1.0 CG2 A:ILE143 4.3 17.0 1.0 N A:GLY142 4.3 12.1 1.0 CD A:ARG151 4.4 22.9 1.0 NE2 A:HIS40 4.4 11.9 1.0 CB A:ARG151 4.5 14.4 1.0 O A:HOH607 4.6 17.0 1.0 C18 A:8NQ303 4.6 13.2 1.0 O A:GLY142 4.7 14.5 1.0 CA A:ILE143 4.8 17.4 1.0 CG A:HIS40 4.8 11.2 1.0 CA A:ARG151 4.8 15.3 1.0 N A:GLY193 4.9 10.2 1.0 C A:GLY193 4.9 10.5 1.0 C A:LYS192 4.9 11.8 1.0 O A:HIS40 5.0 12.0 1.0

E.Lorthiois, K.Anderson, A.Vulpetti, O.Rogel, F.Cumin, N.Ostermann, S.Steinbacher, A.Mac Sweeney, O.Delgado, S.M.Liao, S.Randl, S.Rudisser, S.Dussauge, K.Fettis, L.Kieffer, A.De Erkenez, L.Yang, C.Hartwieg, U.A.Argikar, L.R.La Bonte, R.Newton, V.Kansara, S.Flohr, U.Hommel, B.Jaffee, J.Maibaum. Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo. J. Med. Chem. V. 60 5717 2017.
ISSN: ISSN 1520-4804
PubMed: 28621538
DOI: 10.1021/ACS.JMEDCHEM.7B00425