Chlorine in PDB 1e7b: Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane

The structure of Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane, PDB code: 1e7b 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)	17.00 / 2.38
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	54.580, 54.960, 120.000, 81.39, 90.79, 65.55
R / Rfree (%)	27 / 30.3

The structure of Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane also contains other interesting chemical elements:

Fluorine	(F)	18 atoms
Bromine	(Br)	6 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane (pdb code 1e7b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane, PDB code: 1e7b:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4001 b:73.4 occ:0.54 CL A:HLT4001 0.0 73.4 0.5 C1 A:HLT4001 1.7 74.6 0.5 C2 A:HLT4001 2.6 74.7 0.5 F1 A:HLT4002 2.7 70.2 0.5 F1 A:HLT4001 2.7 74.6 0.5 BR A:HLT4001 2.9 81.0 0.5 F2 A:HLT4001 3.1 73.3 0.5 CZ A:ARG209 3.7 84.4 1.0 NH2 A:ARG209 3.7 84.8 1.0 OD1 A:ASP324 3.8 65.2 1.0 F3 A:HLT4001 3.8 73.9 0.5 NE A:ARG209 3.9 83.5 1.0 C2 A:HLT4002 3.9 71.6 0.5 CL A:HLT4002 3.9 71.3 0.5 F3 A:HLT4002 4.2 70.8 0.5 NH1 A:ARG209 4.2 85.5 1.0 CB A:LEU327 4.3 41.7 1.0 C1 A:HLT4002 4.4 72.2 0.5 CG A:ARG209 4.5 69.8 1.0 O A:ASP324 4.5 59.8 1.0 CG A:ASP324 4.6 65.8 1.0 CD A:ARG209 4.6 77.9 1.0 CD1 A:LEU327 4.7 40.5 1.0 F2 A:HLT4002 4.9 70.4 0.5 CA A:ASP324 4.9 62.7 1.0 CB A:ALA213 5.0 42.5 1.0 N A:GLY328 5.0 45.7 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4002 b:71.3 occ:0.47 CL A:HLT4002 0.0 71.3 0.5 C1 A:HLT4002 1.8 72.2 0.5 C2 A:HLT4002 2.7 71.6 0.5 F1 A:HLT4002 2.9 70.2 0.5 F3 A:HLT4002 3.0 70.8 0.5 BR A:HLT4002 3.0 78.7 0.5 NH1 A:ARG209 3.1 85.5 1.0 CZ A:ARG209 3.8 84.4 1.0 CD A:ARG209 3.8 77.9 1.0 O A:HOH2016 3.9 90.1 1.0 F2 A:HLT4002 3.9 70.4 0.5 CL A:HLT4001 3.9 73.4 0.5 NE A:ARG209 4.1 83.5 1.0 CB A:ALA213 4.2 42.5 1.0 CG A:ARG209 4.2 69.8 1.0 O A:ARG209 4.2 49.3 1.0 C1 A:HLT4001 4.5 74.6 0.5 C A:ARG209 4.6 52.3 1.0 CA A:ALA210 4.7 47.5 1.0 NH2 A:ARG209 4.7 84.8 1.0 N A:ALA210 4.9 50.0 1.0 F2 A:HLT4001 4.9 73.3 0.5

Chlorine binding site 3 out of 6 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4003 b:87.0 occ:0.54 CL A:HLT4003 0.0 87.0 0.5 C1 A:HLT4003 1.7 87.7 0.5 C2 A:HLT4003 2.7 86.8 0.5 F1 A:HLT4003 2.9 85.5 0.5 BR A:HLT4003 3.0 95.3 0.5 F3 A:HLT4003 3.0 84.6 0.5 CG1 A:VAL433 3.5 58.4 1.0 CD1 A:LEU453 3.6 41.4 1.0 CB A:ALA449 3.8 37.5 1.0 F2 A:HLT4003 3.9 86.7 0.5 CD1 A:ILE388 3.9 52.3 1.0 CG A:LEU453 4.0 41.3 1.0 CD2 A:LEU453 4.1 43.0 1.0 CB A:VAL433 4.2 58.0 1.0 CA A:ALA449 4.5 35.8 1.0 O A:ALA449 4.6 38.4 1.0 C A:ALA449 4.7 36.8 1.0 CG2 A:VAL433 4.8 57.7 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl4001 b:91.5 occ:0.52 CL B:HLT4001 0.0 91.5 0.5 C1 B:HLT4001 1.8 92.3 0.5 C2 B:HLT4001 2.7 92.1 0.5 F1 B:HLT4002 2.7 76.5 0.5 F1 B:HLT4001 2.7 91.9 0.5 BR B:HLT4001 3.0 95.5 0.5 F2 B:HLT4001 3.1 91.5 0.5 OD1 B:ASP324 3.2 81.4 1.0 F3 B:HLT4002 3.4 76.7 0.5 C2 B:HLT4002 3.6 77.0 0.5 NH2 B:ARG209 3.7 94.8 1.0 F3 B:HLT4001 3.8 92.0 0.5 CB B:LEU327 4.1 55.6 1.0 O B:ASP324 4.1 73.3 1.0 NE B:ARG209 4.1 90.8 1.0 CZ B:ARG209 4.1 93.8 1.0 CG B:ASP324 4.3 79.8 1.0 F2 B:HLT4002 4.5 75.5 0.5 CA B:ASP324 4.5 76.1 1.0 C1 B:HLT4002 4.6 77.7 0.5 N B:GLY328 4.6 58.6 1.0 C B:LEU327 4.6 58.4 1.0 CD1 B:LEU327 4.7 56.6 1.0 C B:ASP324 4.8 73.8 1.0 CL B:HLT4002 4.9 77.0 0.5 CB B:ASP324 4.9 77.7 1.0 CA B:GLY328 4.9 59.1 1.0 O B:LEU327 4.9 59.3 1.0 CG B:ARG209 4.9 75.5 1.0 CA B:LEU327 5.0 57.4 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl4002 b:77.0 occ:0.48 CL B:HLT4002 0.0 77.0 0.5 C1 B:HLT4002 1.8 77.7 0.5 F3 B:HLT4002 2.6 76.7 0.5 C2 B:HLT4002 2.7 77.0 0.5 BR B:HLT4002 3.0 81.8 0.5 F1 B:HLT4002 3.5 76.5 0.5 CB B:ALA213 3.7 55.9 1.0 F2 B:HLT4002 3.7 75.5 0.5 O B:ARG209 4.2 60.2 1.0 CA B:ALA210 4.5 58.9 1.0 NH1 B:ARG209 4.7 95.2 1.0 C1 B:HLT4001 4.7 92.3 0.5 C B:ARG209 4.8 61.8 1.0 F2 B:HLT4001 4.8 91.5 0.5 CL B:HLT4001 4.9 91.5 0.5 N B:ALA210 5.0 59.9 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl4003 b:90.3 occ:0.46 CL B:HLT4003 0.0 90.3 0.5 C1 B:HLT4003 1.7 88.8 0.5 C2 B:HLT4003 2.6 87.7 0.5 F3 B:HLT4003 2.9 85.6 0.5 F2 B:HLT4003 2.9 85.0 0.5 BR B:HLT4003 3.0 94.6 0.5 CD1 B:LEU453 3.6 49.0 1.0 CB B:ALA449 3.8 45.5 1.0 F1 B:HLT4003 3.8 87.0 0.5 CG1 B:VAL433 3.9 74.4 1.0 CD2 B:LEU453 4.0 49.0 1.0 CG B:LEU453 4.1 49.0 1.0 CD1 B:ILE388 4.2 55.1 1.0 CB B:VAL433 4.3 73.8 1.0 O B:ALA449 4.6 45.7 1.0 CA B:ALA449 4.6 46.2 1.0 C B:ALA449 4.8 46.2 1.0 CG2 B:VAL433 4.9 74.3 1.0 CB B:ASN391 5.0 60.0 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