Bromine in PDB 1e7c: Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane

The structure of Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane, PDB code: 1e7c was solved by A.A.Bhattacharya, S.Curry, N.P.Franks, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.00 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	188.910, 39.080, 96.690, 90.00, 105.41, 90.00
R / Rfree (%)	23.2 / 28.2

The structure of Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane also contains other interesting chemical elements:

Fluorine	(F)	24 atoms
Chlorine	(Cl)	8 atoms

The binding sites of Bromine atom in the Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane (pdb code 1e7c). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane, PDB code: 1e7c:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in the Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4001 b:64.8 occ:0.53 BR A:HLT4001 0.0 64.8 0.5 C1 A:HLT4001 1.9 59.5 0.5 C2 A:HLT4001 2.7 59.0 0.5 F3 A:HLT4001 2.8 58.8 0.5 CL A:HLT4001 2.9 55.0 0.5 F1 A:HLT4001 3.1 61.3 0.5 CA A:GLY328 3.6 36.4 1.0 CA A:ALA213 3.9 30.3 1.0 F2 A:HLT4001 3.9 59.3 0.5 N A:GLY328 4.0 35.1 1.0 CB A:ALA213 4.0 25.6 1.0 O A:ASP324 4.3 46.3 1.0 N A:ALA213 4.3 27.2 1.0 CD1 A:LEU331 4.3 33.9 1.0 F1 A:HLT4002 4.5 62.1 0.5 F2 A:HLT4004 4.5 65.0 0.5 CG2 A:VAL216 4.5 28.2 1.0 C A:LYS212 4.6 31.4 1.0 O A:LYS212 4.7 29.6 1.0 C A:LEU327 4.7 37.5 1.0 C1 A:HLT4004 4.8 64.6 0.5 CB A:VAL216 4.8 31.8 1.0 BR A:HLT4004 4.8 70.8 0.5 C A:GLY328 4.9 38.7 1.0

Bromine binding site 2 out of 8 in the Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4002 b:71.6 occ:0.51 BR A:HLT4002 0.0 71.6 0.5 C1 A:HLT4002 1.9 65.2 0.5 F2 A:HLT4002 2.6 62.0 0.5 C2 A:HLT4002 2.7 63.9 0.5 CL A:HLT4002 3.0 66.3 0.5 O A:LEU347 3.2 36.0 1.0 F3 A:HLT4002 3.5 62.9 0.5 CB A:LYS351 3.7 51.3 1.0 F1 A:HLT4002 3.8 62.1 0.5 N A:LYS351 3.9 47.3 1.0 CA A:LYS351 4.0 48.9 1.0 C A:LEU347 4.0 34.8 1.0 CB A:LEU347 4.1 30.5 1.0 CA A:LEU347 4.2 33.8 1.0 CB A:ALA350 4.5 39.8 1.0 CD A:LYS351 4.6 59.4 1.0 C A:ALA350 4.7 46.1 1.0 CG A:LYS351 4.8 55.1 1.0 CG A:LEU347 4.9 30.1 1.0 CD1 A:LEU347 5.0 31.9 1.0

Bromine binding site 3 out of 8 in the Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4004 b:70.8 occ:0.50 BR A:HLT4004 0.0 70.8 0.5 C1 A:HLT4004 1.9 64.6 0.5 F3 A:HLT4004 2.5 63.8 0.5 C2 A:HLT4004 2.7 64.3 0.5 CL A:HLT4004 2.9 63.6 0.5 F2 A:HLT4004 3.6 65.0 0.5 F1 A:HLT4004 3.7 63.9 0.5 F3 A:HLT4001 3.8 58.8 0.5 F1 A:HLT4001 4.1 61.3 0.5 CA A:VAL325 4.1 40.6 1.0 O A:ASP324 4.2 46.3 1.0 CG2 A:VAL325 4.2 39.2 1.0 N A:VAL325 4.4 42.9 1.0 C A:ASP324 4.4 45.1 1.0 C2 A:HLT4001 4.6 59.0 0.5 CB A:VAL325 4.7 39.9 1.0 CZ A:PHE228 4.7 44.0 1.0 BR A:HLT4001 4.8 64.8 0.5 OG A:SER232 4.8 41.5 1.0 CB A:ASP324 5.0 47.7 1.0

Bromine binding site 4 out of 8 in the Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4005 b:65.6 occ:0.53 BR A:HLT4005 0.0 65.6 0.5 C1 A:HLT4005 1.9 60.5 0.5 C2 A:HLT4005 2.8 60.8 0.5 F1 A:HLT4005 2.9 62.7 0.5 CL A:HLT4005 3.0 57.5 0.5 F3 A:HLT4005 3.1 59.5 0.5 F2 A:HLT4005 4.0 61.5 0.5 CD2 A:LEU238 4.1 48.4 1.0 CZ A:ARG257 4.5 33.0 1.0 NH1 A:ARG257 4.6 33.6 1.0 NH2 A:ARG257 4.8 34.4 1.0 NE A:ARG257 4.8 33.3 1.0 F3 A:HLT4006 4.8 62.9 0.5 CG1 A:VAL241 4.9 33.0 1.0 CB A:ALA291 4.9 38.7 1.0 CG A:ARG257 4.9 35.3 1.0 CD2 A:LEU260 5.0 40.7 1.0

Bromine binding site 5 out of 8 in the Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4006 b:69.1 occ:0.49 BR A:HLT4006 0.0 69.1 0.5 C1 A:HLT4006 1.9 63.8 0.5 F3 A:HLT4005 2.7 59.5 0.5 C2 A:HLT4006 2.8 63.7 0.5 CL A:HLT4006 2.9 64.2 0.5 F3 A:HLT4006 2.9 62.9 0.5 F1 A:HLT4006 3.1 62.9 0.5 C2 A:HLT4005 3.7 60.8 0.5 F1 A:HLT4005 3.8 62.7 0.5 F2 A:HLT4006 4.0 63.0 0.5 F2 A:HLT4005 4.0 61.5 0.5 CA A:ALA291 4.1 39.4 1.0 CD2 A:LEU219 4.3 32.8 1.0 CG2 A:ILE290 4.4 38.6 1.0 O A:ILE290 4.4 36.1 1.0 NH1 A:ARG222 4.4 74.2 1.0 N A:ALA291 4.6 37.8 1.0 C A:ILE290 4.7 37.7 1.0 CZ A:PHE223 4.8 35.2 1.0 O A:ALA291 4.9 39.7 1.0 CB A:ALA291 4.9 38.7 1.0 C A:ALA291 4.9 40.0 1.0 CE2 A:PHE223 4.9 36.2 1.0 C1 A:HLT4005 5.0 60.5 0.5

Bromine binding site 6 out of 8 in the Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4007 b:60.1 occ:0.65 BR A:HLT4007 0.0 60.1 0.7 C1 A:HLT4007 1.9 47.8 0.7 F3 A:HLT4007 2.6 44.5 0.7 C2 A:HLT4007 2.7 46.4 0.7 CL A:HLT4007 2.9 43.7 0.7 F2 A:HLT4007 3.3 47.1 0.7 OH A:TYR30 3.7 49.1 1.0 F1 A:HLT4007 3.9 47.2 0.7 OD1 A:ASP249 3.9 50.2 1.0 N A:LEU250 4.1 39.9 1.0 CG A:ASP249 4.3 49.5 1.0 CB A:LEU250 4.3 37.6 1.0 NE2 A:HIS67 4.4 44.8 1.0 OD2 A:ASP249 4.4 54.4 1.0 N A:LEU251 4.4 33.8 1.0 ND2 A:ASN99 4.5 57.0 1.0 CD2 A:HIS67 4.6 44.8 1.0 CZ A:TYR30 4.6 50.0 1.0 CG A:LEU251 4.6 38.2 1.0 OD1 A:ASN99 4.7 55.7 1.0 CE2 A:PHE70 4.7 40.1 1.0 CA A:LEU250 4.7 37.6 1.0 CD2 A:PHE70 4.7 37.2 1.0 CE1 A:TYR30 4.8 48.9 1.0 CB A:LEU251 4.9 36.5 1.0 CE1 A:HIS67 4.9 46.4 1.0 CD1 A:LEU251 4.9 39.2 1.0 CA A:ASP249 5.0 42.8 1.0

Bromine binding site 7 out of 8 in the Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4008 b:65.5 occ:0.38 BR A:HLT4008 0.0 65.5 0.4 F2 A:HLT4008 1.5 50.9 0.4 C1 A:HLT4008 1.9 59.0 0.4 C1 A:HLT4008 2.0 56.0 0.4 BR A:HLT4008 2.1 64.6 0.4 C2 A:HLT4008 2.1 54.4 0.4 C2 A:HLT4008 2.8 58.3 0.4 F2 A:HLT4008 2.8 56.7 0.4 F3 A:HLT4008 2.9 51.4 0.4 CL A:HLT4008 3.0 61.2 0.4 F3 A:HLT4008 3.2 55.6 0.4 F1 A:HLT4008 3.2 52.5 0.4 CG A:LYS159 3.4 30.8 1.0 CA A:LYS159 3.5 31.7 1.0 N A:LYS159 3.6 31.6 1.0 CL A:HLT4008 3.8 57.8 0.4 C A:ALA158 3.9 29.4 1.0 F1 A:HLT4008 3.9 56.0 0.4 O A:ALA158 4.0 32.7 1.0 CB A:LYS159 4.0 30.7 1.0 CD A:LYS162 4.0 36.1 1.0 CB A:ALA158 4.2 23.8 1.0 CB A:LYS162 4.3 31.7 1.0 CD A:LYS159 4.6 32.2 1.0 CA A:ALA158 4.7 27.3 1.0 C A:LYS159 4.8 32.1 1.0 CG A:LYS162 4.9 32.4 1.0 CD1 A:LEU155 4.9 33.2 1.0 CE A:LYS159 5.0 33.5 1.0

Bromine binding site 8 out of 8 in the Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Human Serum Albumin Complexed with Myristic Acid and the General Anesthetic Halothane within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4008 b:64.6 occ:0.36 BR A:HLT4008 0.0 64.6 0.4 CL A:HLT4008 1.4 61.2 0.4 C1 A:HLT4008 1.9 59.0 0.4 C1 A:HLT4008 1.9 56.0 0.4 BR A:HLT4008 2.1 65.5 0.4 F3 A:HLT4008 2.8 55.6 0.4 C2 A:HLT4008 2.9 54.4 0.4 C2 A:HLT4008 2.9 58.3 0.4 CL A:HLT4008 3.0 57.8 0.4 F3 A:HLT4008 3.1 51.4 0.4 F2 A:HLT4008 3.1 50.9 0.4 F2 A:HLT4008 3.7 56.7 0.4 F1 A:HLT4008 3.8 56.0 0.4 CG A:LYS159 4.0 30.8 1.0 F1 A:HLT4008 4.1 52.5 0.4 NZ A:LYS162 4.5 40.0 1.0 CD A:LYS162 4.5 36.1 1.0 NZ A:LYS159 4.7 33.9 1.0 CD A:LYS159 4.7 32.2 1.0 CE A:LYS159 4.7 33.5 1.0 CD1 A:LEU155 4.9 33.2 1.0

A.A.Bhattacharya, S.Curry, N.P.Franks. Binding of the General Anesthetics Propofol and Halothane to Human Serum Albumin. High Resolution Crystal Structures J.Biol.Chem. V. 275 38731 2000.
ISSN: ISSN 0021-9258
PubMed: 10940303
DOI: 10.1074/JBC.M005460200