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

Protein crystallography data

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

Bromine Binding Sites:

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 8eo2

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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 8eo2

Go back to Bromine Binding Sites List in 8eo2
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 8eo2

Go back to Bromine Binding Sites List in 8eo2
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 8eo2

Go back to Bromine Binding Sites List in 8eo2
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 8eo2

Go back to Bromine Binding Sites List in 8eo2
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

Reference:

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.
Page generated: Thu Jul 11 05:06:58 2024

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