Bromine in PDB 6xke: Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus

The structure of Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus, PDB code: 6xke was solved by J.F.Andersen, E.Strayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.41 / 1.55
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	56.68, 137.68, 61.14, 90, 90, 90
R / Rfree (%)	18.3 / 20.3

The binding sites of Bromine atom in the Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus (pdb code 6xke). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus, PDB code: 6xke:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in the Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:44.1 occ:1.00 NE A:ARG38 3.4 27.6 1.0 CG A:GLU39 3.8 22.0 1.0 NH2 A:ARG38 3.8 36.1 1.0 CA A:GLU39 4.0 16.3 1.0 CG1 A:ILE42 4.0 18.8 1.0 CZ A:ARG38 4.1 31.9 1.0 CB A:ILE42 4.1 18.1 1.0 O A:HOH360 4.2 28.5 1.0 CG2 A:ILE42 4.2 19.3 1.0 N A:GLU39 4.3 15.6 1.0 CG A:ARG38 4.3 18.3 1.0 CD A:ARG38 4.4 21.4 1.0 O A:ARG38 4.4 15.8 1.0 CB A:GLU39 4.4 19.9 1.0 C A:ARG38 4.5 17.7 1.0 CD2 A:LEU9 4.6 22.9 1.0 CB A:ARG38 4.9 14.9 1.0 CD A:GLU39 5.0 29.0 1.0

Bromine binding site 2 out of 8 in the Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:41.4 occ:1.00 OG1 A:THR52 3.1 28.9 1.0 NH2 A:ARG115 3.1 41.1 1.0 N A:LEU49 3.4 20.6 1.0 NH1 A:ARG115 3.4 36.4 1.0 CZ A:ARG115 3.7 34.1 1.0 CA A:TYR48 3.7 18.4 1.0 O A:HOH330 3.8 32.4 1.0 CG A:LEU49 3.9 28.3 1.0 CB A:THR52 4.1 21.6 1.0 C A:TYR48 4.1 19.6 1.0 CB A:TYR48 4.2 17.8 1.0 CB A:LEU49 4.2 25.4 1.0 CG2 A:THR52 4.3 23.6 1.0 CD1 A:TYR48 4.3 20.9 1.0 CA A:LEU49 4.4 23.2 1.0 CG A:TYR48 4.5 17.8 1.0 CD1 A:LEU49 4.7 30.1 1.0 O A:GLY47 4.7 23.0 1.0 CD2 A:LEU49 4.9 35.4 1.0 N A:TYR48 4.9 19.6 1.0

Bromine binding site 3 out of 8 in the Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus within 5.0Å range: probe atom residue distance (Å) B Occ B:Br201 b:31.4 occ:1.00 O B:HOH426 2.7 31.5 1.0 O B:HOH359 3.1 13.8 1.0 O B:HOH401 3.2 17.5 1.0 O B:HOH443 3.7 30.5 1.0 O B:HOH344 4.0 27.1 1.0 CG2 B:ILE15 4.0 17.7 1.0 CG B:LYS30 4.0 12.7 1.0 CD1 B:ILE33 4.1 12.7 1.0 CG2 B:ILE33 4.1 12.3 1.0 CB B:ILE15 4.3 17.0 1.0 CD1 B:LEU17 4.4 18.3 1.0 CB B:ILE33 4.4 10.6 1.0 NH1 B:ARG38 4.5 12.8 1.0 CB B:LYS30 4.5 10.2 1.0 CD1 B:ILE15 4.6 16.9 1.0 CD B:LYS30 4.6 17.9 1.0 CA B:LYS30 4.7 9.1 1.0 CG B:LEU17 4.8 18.9 1.0 CG1 B:ILE33 4.9 10.0 1.0 O B:HOH423 4.9 25.0 1.0 CE B:LYS30 4.9 23.0 1.0 O B:HOH395 5.0 26.1 1.0

Bromine binding site 4 out of 8 in the Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus within 5.0Å range: probe atom residue distance (Å) B Occ B:Br202 b:28.4 occ:1.00 NH2 B:ARG96 2.7 27.0 1.0 O B:HOH411 3.2 34.6 1.0 NH2 C:ARG43 3.3 17.4 1.0 O B:HOH357 3.3 16.2 1.0 CZ B:ARG96 3.6 21.0 1.0 NE C:ARG43 3.7 13.5 1.0 NH1 B:ARG96 3.7 24.2 1.0 CA B:ALA28 3.7 9.5 1.0 O B:HOH420 3.7 18.9 1.0 CB B:ALA28 3.9 10.1 1.0 CZ C:ARG43 3.9 14.4 1.0 N B:ALA28 4.0 10.4 1.0 CG2 B:THR27 4.2 11.7 1.0 C B:THR27 4.3 11.2 1.0 O B:THR27 4.4 10.4 1.0 CB B:TYR31 4.7 9.8 1.0 NE B:ARG96 4.8 29.5 1.0 CD C:ARG43 4.9 12.0 1.0 CB B:THR27 4.9 10.3 1.0 CG B:TYR31 5.0 10.9 1.0

Bromine binding site 5 out of 8 in the Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus within 5.0Å range: probe atom residue distance (Å) B Occ B:Br203 b:45.4 occ:1.00 NH2 B:ARG43 3.4 26.1 1.0 O C:HOH322 3.5 24.4 1.0 NH1 C:ARG96 3.6 28.6 1.0 NH2 C:ARG96 3.7 30.5 1.0 CA C:ALA28 3.7 13.1 1.0 O C:HOH401 3.8 25.9 1.0 CB C:ALA28 3.9 14.5 1.0 CG2 C:THR27 3.9 18.7 1.0 N C:ALA28 3.9 14.6 1.0 CZ C:ARG96 4.0 26.4 1.0 NE B:ARG43 4.3 19.9 1.0 C C:THR27 4.3 16.2 1.0 CZ B:ARG43 4.3 28.8 1.0 O C:THR27 4.4 14.1 1.0 CB C:THR27 4.7 18.1 1.0 O B:HOH441 4.8 33.0 1.0 CB C:TYR31 4.8 12.7 1.0

Bromine binding site 6 out of 8 in the Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus within 5.0Å range: probe atom residue distance (Å) B Occ B:Br204 b:32.8 occ:1.00 OG1 B:THR52 3.1 27.9 1.0 N B:LEU49 3.4 20.8 1.0 NH2 B:ARG115 3.4 30.4 1.0 NH1 B:ARG115 3.5 28.4 1.0 CA B:TYR48 3.8 16.4 1.0 CZ B:ARG115 3.9 27.7 1.0 C B:TYR48 4.1 17.3 1.0 CG B:LEU49 4.1 28.5 1.0 CB B:THR52 4.1 23.6 1.0 CB B:LEU49 4.1 23.8 1.0 CD1 B:TYR48 4.3 15.6 1.0 CB B:TYR48 4.3 17.2 1.0 CG2 B:THR52 4.3 21.7 1.0 CA B:LEU49 4.4 21.2 1.0 CG B:TYR48 4.6 17.7 1.0 O B:GLY47 4.6 20.0 1.0 CD1 B:LEU49 4.7 32.0 1.0 N B:TYR48 4.9 15.5 1.0

Bromine binding site 7 out of 8 in the Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus within 5.0Å range: probe atom residue distance (Å) B Occ C:Br201 b:31.8 occ:1.00 OG1 C:THR52 3.2 31.5 1.0 NH2 C:ARG115 3.2 34.5 1.0 N C:LEU49 3.3 22.4 1.0 NH1 C:ARG115 3.4 32.0 1.0 CA C:TYR48 3.8 20.1 1.0 CZ C:ARG115 3.8 30.8 1.0 CG C:LEU49 4.0 30.9 1.0 C C:TYR48 4.1 22.8 1.0 CB C:THR52 4.1 28.0 1.0 CB C:LEU49 4.1 26.1 1.0 CG2 C:THR52 4.3 26.6 1.0 CA C:LEU49 4.3 25.9 1.0 CD1 C:TYR48 4.4 19.2 1.0 CB C:TYR48 4.4 22.2 1.0 CD1 C:LEU49 4.4 33.3 1.0 O C:GLY47 4.5 22.9 1.0 CG C:TYR48 4.7 20.2 1.0 N C:TYR48 4.8 19.5 1.0

Bromine binding site 8 out of 8 in the Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structure of A Mosquito Complement Inhibitor From Anopheles Albimanus within 5.0Å range: probe atom residue distance (Å) B Occ C:Br202 b:20.0 occ:0.46 O C:HOH428 3.1 28.2 0.4 N C:SER23 3.3 16.9 1.0 CB C:SER23 3.9 20.5 1.0 CE1 C:PHE24 3.9 23.6 1.0 CA C:LYS22 4.0 16.9 1.0 CD1 C:PHE24 4.0 21.1 1.0 OG C:SER23 4.0 21.6 1.0 CD C:LYS22 4.1 19.4 1.0 C C:LYS22 4.1 17.1 1.0 CA C:SER23 4.2 16.6 1.0 CB C:LYS22 4.3 17.7 1.0 N C:PHE24 4.7 19.2 1.0 CG C:LYS22 4.8 18.2 1.0

E.C.Strayer, S.Lu, J.M.Ribeiro, J.F.Andersen. Salivary Complement Inhibitors From Mosquitoes: Structure and Mechanism of Action. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33199367
DOI: 10.1074/JBC.RA120.015230