Bromine in PDB 8eo2: Lufaxin A Bifunctional Inhibitor of Complement and Coagulation

The structure of Lufaxin A Bifunctional Inhibitor of Complement and Coagulation, PDB code: 8eo2 was solved by J.F.Andersen, E.C.Strayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.18 / 2.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.48, 71.31, 167.32, 90, 90, 90
R / Rfree (%)	20.1 / 25.5

The binding sites of Bromine atom in the Lufaxin A Bifunctional Inhibitor of Complement and Coagulation (pdb code 8eo2). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Lufaxin A Bifunctional Inhibitor of Complement and Coagulation, PDB code: 8eo2:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in the Lufaxin A Bifunctional Inhibitor of Complement and Coagulation


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Lufaxin A Bifunctional Inhibitor of Complement and Coagulation within 5.0Å range: probe atom residue distance (Å) B Occ A:Br503 b:78.8 occ:1.00 NZ A:LYS117 2.7 59.7 1.0 N A:GLU186 3.6 56.1 1.0 CG A:ARG185 3.8 79.2 1.0 CA A:ARG185 3.9 64.2 1.0 O A:GLU186 4.0 53.2 1.0 CG A:GLU186 4.1 58.7 1.0 CE A:LYS117 4.2 68.7 1.0 O A:ALA184 4.3 63.1 1.0 C A:ARG185 4.3 58.5 1.0 CB A:ARG185 4.4 67.2 1.0 CD A:ARG185 4.5 74.7 1.0 CA A:GLU186 4.6 57.6 1.0 NE A:ARG185 4.7 72.0 1.0 C A:GLU186 4.8 54.3 1.0 CB A:GLU186 4.9 53.1 1.0 OE2 A:GLU186 4.9 61.0 1.0 N A:ARG185 5.0 58.7 1.0

Bromine binding site 2 out of 5 in the Lufaxin A Bifunctional Inhibitor of Complement and Coagulation


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Lufaxin A Bifunctional Inhibitor of Complement and Coagulation within 5.0Å range: probe atom residue distance (Å) B Occ A:Br504 b:87.7 occ:1.00 NE A:ARG119 3.3 54.8 1.0 N A:ARG119 3.5 55.7 1.0 O A:SER115 3.5 66.3 1.0 OD2 A:ASP118 3.6 87.7 1.0 CA A:PHE116 3.7 58.6 1.0 O A:PHE116 3.7 59.1 1.0 C A:PHE116 3.7 57.5 1.0 CB A:ASP118 3.8 69.1 1.0 NH2 A:ARG119 3.8 56.5 1.0 N A:ASP118 3.9 62.3 1.0 CB A:ARG119 3.9 54.4 1.0 CZ A:ARG119 4.1 55.4 1.0 CG A:ARG119 4.1 55.0 1.0 CG A:ASP118 4.2 83.1 1.0 CA A:ASP118 4.2 60.6 1.0 C A:SER115 4.3 63.0 1.0 CD A:ARG119 4.3 54.9 1.0 C A:ASP118 4.3 57.7 1.0 CA A:ARG119 4.3 55.6 1.0 N A:PHE116 4.4 60.3 1.0 N A:LYS117 4.5 62.5 1.0 CB A:PHE116 4.7 53.0 1.0 C A:LYS117 4.9 63.9 1.0 CD1 A:PHE116 4.9 56.5 1.0

Bromine binding site 3 out of 5 in the Lufaxin A Bifunctional Inhibitor of Complement and Coagulation


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Lufaxin A Bifunctional Inhibitor of Complement and Coagulation within 5.0Å range: probe atom residue distance (Å) B Occ A:Br505 b:86.9 occ:1.00 O6 C:NAG1 3.0 47.1 1.0 NZ A:LYS90 3.2 52.4 1.0 N2 C:NAG2 3.3 52.9 1.0 C6 C:NAG1 3.7 43.9 1.0 CE A:LYS90 3.8 43.1 1.0 C8 C:NAG2 4.0 44.6 1.0 C2 C:NAG2 4.1 54.2 1.0 C7 C:NAG2 4.1 49.3 1.0 C3 C:NAG2 4.2 57.1 1.0 C1 C:NAG2 4.2 53.9 1.0 O A:HOH678 4.5 43.9 1.0 O3 C:NAG2 4.7 57.3 1.0 O4 C:NAG1 4.8 51.1 1.0 CG2 A:VAL45 4.8 43.1 1.0 OE1 A:GLN80 4.9 49.7 1.0 C5 C:NAG1 5.0 52.5 1.0 C4 C:NAG1 5.0 50.5 1.0

Bromine binding site 4 out of 5 in the Lufaxin A Bifunctional Inhibitor of Complement and Coagulation


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Lufaxin A Bifunctional Inhibitor of Complement and Coagulation within 5.0Å range: probe atom residue distance (Å) B Occ B:Br302 b:75.3 occ:1.00 N B:GLU186 3.4 47.5 1.0 NZ B:LYS117 3.9 60.4 1.0 O B:GLU186 3.9 47.0 1.0 CA B:ARG185 3.9 55.7 1.0 CG B:GLU186 4.0 49.8 1.0 CE B:LYS117 4.1 54.4 1.0 C B:ARG185 4.2 49.3 1.0 NE B:ARG185 4.2 61.2 1.0 O B:ALA184 4.2 53.6 1.0 CD B:ARG185 4.3 59.0 1.0 CA B:GLU186 4.4 53.1 1.0 CB B:ARG185 4.6 55.5 1.0 C B:GLU186 4.6 47.6 1.0 CB B:GLU186 4.6 44.2 1.0 N B:ARG185 5.0 45.1 1.0 CG B:ARG185 5.0 57.4 1.0

Bromine binding site 5 out of 5 in the Lufaxin A Bifunctional Inhibitor of Complement and Coagulation


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Lufaxin A Bifunctional Inhibitor of Complement and Coagulation within 5.0Å range: probe atom residue distance (Å) B Occ B:Br303 b:86.6 occ:1.00 NE B:ARG119 3.4 56.0 1.0 N B:ARG119 3.5 58.8 1.0 O B:SER115 3.7 64.7 1.0 NH2 B:ARG119 3.7 52.8 1.0 CA B:PHE116 3.8 60.9 1.0 O B:PHE116 3.8 56.1 1.0 C B:PHE116 3.8 57.0 1.0 CB B:ARG119 3.9 54.2 1.0 CB B:ASP118 3.9 59.6 1.0 N B:ASP118 4.0 60.1 1.0 CZ B:ARG119 4.0 58.8 1.0 CG B:ARG119 4.2 55.5 1.0 CA B:ASP118 4.3 57.4 1.0 C B:ASP118 4.3 60.6 1.0 CA B:ARG119 4.3 55.9 1.0 CD B:ARG119 4.4 49.6 1.0 C B:SER115 4.5 61.8 1.0 N B:LYS117 4.5 58.9 1.0 N B:PHE116 4.6 57.2 1.0 C B:LYS117 4.9 59.8 1.0 CB B:PHE116 4.9 54.4 1.0 CG B:ASP118 4.9 70.0 1.0 CD1 B:PHE116 5.0 58.7 1.0

J.F.Andersen, H.Lei, E.C.Strayer, V.Pham, T.Kanai, I.M.Francischetti, G.F.Gerber, X.Z.Pan, O.A.Asojo, P.H.Alvarenga, R.A.Brodsky, J.G.Valenzuela, J.M.Ribeiro. A Bifunctional Inhibitor of Complement and Coagulation To Be Published.