Fluorine 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:

Bromine	(Br)	6 atoms
Chlorine	(Cl)	6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 18 binding sites of Fluorine where determined in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane, PDB code: 1e7b:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 18 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F 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:F4001 b:74.6 occ:0.54 F1 A:HLT4001 0.0 74.6 0.5 C2 A:HLT4001 1.3 74.7 0.5 F3 A:HLT4001 2.2 73.9 0.5 F2 A:HLT4001 2.2 73.3 0.5 C1 A:HLT4001 2.3 74.6 0.5 CL A:HLT4001 2.7 73.4 0.5 BR A:HLT4001 3.2 81.0 0.5 O A:ASP324 3.3 59.8 1.0 CG A:ASP324 3.7 65.8 1.0 OD1 A:ASP324 3.7 65.2 1.0 CB A:ASP324 3.8 63.8 1.0 C A:ASP324 3.9 60.4 1.0 CA A:ASP324 4.0 62.7 1.0 OD2 A:ASP324 4.1 68.4 1.0 CG A:ARG209 4.7 69.8 1.0 N A:GLY328 4.8 45.7 1.0 CA A:GLY328 4.8 46.4 1.0 NE A:ARG209 4.9 83.5 1.0

Fluorine binding site 2 out of 18 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F 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:F4001 b:73.3 occ:0.54 F2 A:HLT4001 0.0 73.3 0.5 C2 A:HLT4001 1.3 74.7 0.5 F1 A:HLT4001 2.2 74.6 0.5 F3 A:HLT4001 2.2 73.9 0.5 C1 A:HLT4001 2.3 74.6 0.5 CL A:HLT4001 3.1 73.4 0.5 CG A:ARG209 3.2 69.8 1.0 O A:ARG209 3.3 49.3 1.0 BR A:HLT4001 3.9 81.0 0.5 CB A:LYS212 4.0 45.6 1.0 CA A:ARG209 4.0 56.0 1.0 C A:ARG209 4.0 52.3 1.0 CB A:ARG209 4.1 61.4 1.0 CD A:ARG209 4.3 77.9 1.0 NE A:ARG209 4.3 83.5 1.0 N A:ALA213 4.3 42.3 1.0 CD A:LYS212 4.3 54.6 1.0 CB A:ALA213 4.7 42.5 1.0 OD1 A:ASP324 4.7 65.2 1.0 CA A:ALA213 4.8 41.0 1.0 CG A:ASP324 4.8 65.8 1.0 OD2 A:ASP324 4.8 68.4 1.0 CG A:LYS212 4.8 50.0 1.0 C A:LYS212 4.9 41.5 1.0 CL A:HLT4002 4.9 71.3 0.5 F1 A:HLT4002 5.0 70.2 0.5

Fluorine binding site 3 out of 18 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F 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:F4001 b:73.9 occ:0.54 F3 A:HLT4001 0.0 73.9 0.5 C2 A:HLT4001 1.3 74.7 0.5 F1 A:HLT4001 2.2 74.6 0.5 F2 A:HLT4001 2.2 73.3 0.5 C1 A:HLT4001 2.3 74.6 0.5 BR A:HLT4001 2.8 81.0 0.5 CL A:HLT4001 3.8 73.4 0.5 CB A:LYS212 3.9 45.6 1.0 N A:ALA213 4.2 42.3 1.0 CG2 A:VAL216 4.3 42.0 1.0 C A:LYS212 4.3 41.5 1.0 CA A:ALA213 4.3 41.0 1.0 O A:LYS212 4.6 40.1 1.0 O A:ARG209 4.7 49.3 1.0 CD A:LYS212 4.7 54.6 1.0 O A:ASP324 4.7 59.8 1.0 CB A:ALA213 4.8 42.5 1.0 CA A:GLY328 4.8 46.4 1.0 CA A:LYS212 4.8 42.3 1.0 CG A:LYS212 4.9 50.0 1.0

Fluorine binding site 4 out of 18 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F 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 A:F4002 b:70.2 occ:0.47 F1 A:HLT4002 0.0 70.2 0.5 C2 A:HLT4002 1.3 71.6 0.5 F3 A:HLT4002 2.2 70.8 0.5 F2 A:HLT4002 2.2 70.4 0.5 C1 A:HLT4002 2.3 72.2 0.5 CL A:HLT4001 2.7 73.4 0.5 CL A:HLT4002 2.9 71.3 0.5 C1 A:HLT4001 3.2 74.6 0.5 BR A:HLT4001 3.8 81.0 0.5 CB A:ALA213 4.0 42.5 1.0 BR A:HLT4002 4.0 78.7 0.5 O A:HOH2016 4.4 90.1 1.0 NH1 A:ARG209 4.5 85.5 1.0 C2 A:HLT4001 4.6 74.7 0.5 CZ A:ARG209 4.8 84.4 1.0 CB A:ALA350 4.8 38.2 1.0 CD2 A:LEU331 4.8 43.0 1.0 CB A:LEU327 4.9 41.7 1.0 F2 A:HLT4001 5.0 73.3 0.5 OE1 A:GLU354 5.0 57.3 1.0

Fluorine binding site 5 out of 18 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F 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 A:F4002 b:70.4 occ:0.47 F2 A:HLT4002 0.0 70.4 0.5 C2 A:HLT4002 1.3 71.6 0.5 F3 A:HLT4002 2.2 70.8 0.5 F1 A:HLT4002 2.2 70.2 0.5 C1 A:HLT4002 2.3 72.2 0.5 BR A:HLT4002 3.1 78.7 0.5 CB A:ALA350 3.3 38.2 1.0 CL A:HLT4002 3.9 71.3 0.5 O A:LEU347 3.9 39.6 1.0 N A:LYS351 3.9 39.6 1.0 C A:ALA350 4.0 39.1 1.0 CD2 A:LEU347 4.1 35.8 1.0 O A:HOH2016 4.2 90.1 1.0 CA A:ALA350 4.3 39.1 1.0 CA A:LYS351 4.4 42.3 1.0 O A:ALA350 4.4 40.9 1.0 CB A:ALA213 4.6 42.5 1.0 CA A:LEU347 4.6 34.7 1.0 CD2 A:LEU331 4.6 43.0 1.0 C A:LEU347 4.7 36.6 1.0 CB A:LYS351 4.7 45.3 1.0 CL A:HLT4001 4.9 73.4 0.5 CB A:LEU347 4.9 34.9 1.0

Fluorine binding site 6 out of 18 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F 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 A:F4002 b:70.8 occ:0.47 F3 A:HLT4002 0.0 70.8 0.5 C2 A:HLT4002 1.3 71.6 0.5 F1 A:HLT4002 2.2 70.2 0.5 F2 A:HLT4002 2.2 70.4 0.5 C1 A:HLT4002 2.3 72.2 0.5 O A:HOH2016 2.3 90.1 1.0 CL A:HLT4002 3.0 71.3 0.5 BR A:HLT4002 3.0 78.7 0.5 OE1 A:GLU354 3.2 57.3 1.0 NH1 A:ARG209 3.9 85.5 1.0 CL A:HLT4001 4.2 73.4 0.5 CD A:GLU354 4.2 54.9 1.0 CA A:LYS351 4.3 42.3 1.0 CD A:LYS351 4.4 57.2 1.0 N A:LYS351 4.5 39.6 1.0 O A:ALA350 4.6 40.9 1.0 C A:ALA350 4.6 39.1 1.0 CZ A:ARG209 4.6 84.4 1.0 CB A:LYS351 4.6 45.3 1.0 OE2 A:GLU354 4.8 55.6 1.0 CD1 A:LEU327 4.8 40.5 1.0 NH2 A:ARG209 4.8 84.8 1.0 CB A:ALA350 4.8 38.2 1.0 CB A:GLU354 4.9 47.9 1.0

Fluorine binding site 7 out of 18 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 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:F4003 b:85.5 occ:0.54 F1 A:HLT4003 0.0 85.5 0.5 C2 A:HLT4003 1.3 86.8 0.5 F2 A:HLT4003 2.2 86.7 0.5 F3 A:HLT4003 2.2 84.6 0.5 C1 A:HLT4003 2.3 87.7 0.5 CL A:HLT4003 2.9 87.0 0.5 O A:HOH2008 3.0 48.8 1.0 CD2 A:LEU453 3.3 43.0 1.0 CD1 A:LEU453 3.8 41.4 1.0 BR A:HLT4003 4.0 95.3 0.5 CG A:LEU453 4.1 41.3 1.0 O A:LEU430 4.6 42.6 1.0 CD2 A:LEU430 4.8 44.0 1.0

Fluorine binding site 8 out of 18 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 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:F4003 b:86.7 occ:0.54 F2 A:HLT4003 0.0 86.7 0.5 C2 A:HLT4003 1.3 86.8 0.5 F3 A:HLT4003 2.2 84.6 0.5 F1 A:HLT4003 2.2 85.5 0.5 C1 A:HLT4003 2.4 87.7 0.5 CE2 A:PHE403 3.2 54.8 1.0 BR A:HLT4003 3.2 95.3 0.5 CZ A:PHE403 3.2 53.5 1.0 CL A:HLT4003 3.9 87.0 0.5 CD1 A:LEU407 4.0 35.1 1.0 OD1 A:ASN391 4.0 53.2 1.0 O A:HOH2008 4.0 48.8 1.0 O A:LEU430 4.2 42.6 1.0 CD2 A:LEU407 4.3 37.7 1.0 CB A:ASN391 4.3 51.6 1.0 CG A:ASN391 4.4 52.4 1.0 CD2 A:PHE403 4.5 55.2 1.0 CE1 A:PHE403 4.5 53.1 1.0 CG A:LEU407 4.7 36.4 1.0 C A:LEU430 4.8 43.7 1.0

Fluorine binding site 9 out of 18 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 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:F4003 b:84.6 occ:0.54 F3 A:HLT4003 0.0 84.6 0.5 C2 A:HLT4003 1.3 86.8 0.5 F2 A:HLT4003 2.2 86.7 0.5 F1 A:HLT4003 2.2 85.5 0.5 C1 A:HLT4003 2.4 87.7 0.5 O A:LEU430 2.8 42.6 1.0 CL A:HLT4003 3.0 87.0 0.5 BR A:HLT4003 3.0 95.3 0.5 CB A:VAL433 3.2 58.0 1.0 CG2 A:VAL433 3.6 57.7 1.0 CG1 A:VAL433 3.8 58.4 1.0 C A:LEU430 3.8 43.7 1.0 CD2 A:LEU453 3.9 43.0 1.0 CE2 A:PHE403 4.3 54.8 1.0 CA A:VAL433 4.4 54.7 1.0 CA A:LEU430 4.5 43.1 1.0 N A:GLY434 4.5 53.0 1.0 N A:VAL433 4.6 55.3 1.0 N A:GLY431 4.7 45.8 1.0 C A:VAL433 4.7 53.5 1.0 CB A:LEU430 4.7 44.0 1.0 CG A:LEU453 4.8 41.3 1.0 CA A:GLY431 4.8 49.2 1.0 CD1 A:LEU407 4.9 35.1 1.0 CZ A:PHE403 4.9 53.5 1.0 O A:HOH2008 4.9 48.8 1.0

Fluorine binding site 10 out of 18 in the Crystal Structure of Human Serum Albumin Complexed with the General Anesthetic Halothane


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 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:F4001 b:91.9 occ:0.52 F1 B:HLT4001 0.0 91.9 0.5 C2 B:HLT4001 1.3 92.1 0.5 F2 B:HLT4001 2.2 91.5 0.5 F3 B:HLT4001 2.2 92.0 0.5 C1 B:HLT4001 2.3 92.3 0.5 CL B:HLT4001 2.7 91.5 0.5 OD1 B:ASP324 2.8 81.4 1.0 BR B:HLT4001 3.2 95.5 0.5 CG B:ASP324 3.4 79.8 1.0 O B:ASP324 3.7 73.3 1.0 CB B:ASP324 3.9 77.7 1.0 OD2 B:ASP324 4.2 80.4 1.0 CG B:ARG209 4.2 75.5 1.0 NE B:ARG209 4.3 90.8 1.0 CA B:ASP324 4.3 76.1 1.0 C B:ASP324 4.4 73.8 1.0 CD B:ARG209 4.9 83.8 1.0 O B:ARG209 5.0 60.2 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