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

Protein crystallography data

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

Other elements in 1e7b:

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
Chlorine (Cl) 6 atoms

Bromine Binding Sites:

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

Bromine binding site 1 out of 6 in 1e7b

Go back to Bromine Binding Sites List in 1e7b
Bromine 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 Bromine with other atoms in the Br 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:Br4001

b:81.0
occ:0.54
BR A:HLT4001 0.0 81.0 0.5
C1 A:HLT4001 1.9 74.6 0.5
C2 A:HLT4001 2.8 74.7 0.5
F3 A:HLT4001 2.8 73.9 0.5
CL A:HLT4001 2.9 73.4 0.5
CA A:GLY328 3.1 46.4 1.0
F1 A:HLT4001 3.2 74.6 0.5
N A:GLY328 3.4 45.7 1.0
F1 A:HLT4002 3.8 70.2 0.5
C A:LEU327 3.8 45.1 1.0
F2 A:HLT4001 3.9 73.3 0.5
O A:LEU327 4.0 45.1 1.0
CD2 A:LEU331 4.2 43.0 1.0
O A:ASP324 4.2 59.8 1.0
C A:GLY328 4.4 49.5 1.0
CB A:LEU327 4.5 41.7 1.0
CB A:ALA213 4.6 42.5 1.0
CA A:ALA213 4.6 41.0 1.0
CB A:LEU331 4.6 42.9 1.0
O A:GLY328 4.7 51.9 1.0
CA A:LEU327 4.8 44.5 1.0
CG2 A:VAL216 4.9 42.0 1.0

Bromine binding site 2 out of 6 in 1e7b

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Bromine 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 Bromine with other atoms in the Br 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:Br4002

b:78.7
occ:0.47
BR A:HLT4002 0.0 78.7 0.5
C1 A:HLT4002 1.9 72.2 0.5
C2 A:HLT4002 2.8 71.6 0.5
F3 A:HLT4002 3.0 70.8 0.5
CL A:HLT4002 3.0 71.3 0.5
F2 A:HLT4002 3.1 70.4 0.5
O A:HOH2016 3.3 90.1 1.0
F1 A:HLT4002 4.0 70.2 0.5
CD A:LYS351 4.3 57.2 1.0
CB A:LYS351 4.3 45.3 1.0
O A:LEU347 4.4 39.6 1.0
CG2 A:VAL482 4.5 47.7 1.0
O A:HOH2024 4.8 53.4 1.0
CG A:LYS351 4.8 50.8 1.0
CA A:LYS351 4.9 42.3 1.0

Bromine binding site 3 out of 6 in 1e7b

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Bromine 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 Bromine with other atoms in the Br 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:Br4003

b:95.3
occ:0.54
BR A:HLT4003 0.0 95.3 0.5
C1 A:HLT4003 1.9 87.7 0.5
C2 A:HLT4003 2.8 86.8 0.5
CL A:HLT4003 3.0 87.0 0.5
F3 A:HLT4003 3.0 84.6 0.5
F2 A:HLT4003 3.2 86.7 0.5
N A:GLY434 3.9 53.0 1.0
SG A:CYS438 3.9 50.6 1.0
CA A:GLY434 3.9 55.1 1.0
F1 A:HLT4003 4.0 85.5 0.5
CG1 A:VAL433 4.1 58.4 1.0
O A:ASN391 4.1 50.3 1.0
CB A:ASN391 4.2 51.6 1.0
CE2 A:PHE403 4.3 54.8 1.0
CB A:VAL433 4.3 58.0 1.0
CZ A:PHE403 4.4 53.5 1.0
C A:VAL433 4.4 53.5 1.0
C A:ASN391 4.4 50.6 1.0
SG A:CYS392 4.5 53.3 1.0
N A:CYS392 4.8 50.5 1.0
O A:VAL433 4.8 53.1 1.0
CA A:CYS392 4.9 52.7 1.0
CA A:VAL433 5.0 54.7 1.0
CA A:ASN391 5.0 52.0 1.0

Bromine binding site 4 out of 6 in 1e7b

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Bromine 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 Bromine with other atoms in the Br 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:Br4001

b:95.5
occ:0.52
BR B:HLT4001 0.0 95.5 0.5
C1 B:HLT4001 1.9 92.3 0.5
C2 B:HLT4001 2.8 92.1 0.5
F3 B:HLT4001 2.8 92.0 0.5
CL B:HLT4001 3.0 91.5 0.5
F1 B:HLT4001 3.2 91.9 0.5
CA B:GLY328 3.5 59.1 1.0
F1 B:HLT4002 3.7 76.5 0.5
F2 B:HLT4001 3.9 91.5 0.5
N B:GLY328 4.1 58.6 1.0
CA B:ALA213 4.2 53.5 1.0
O B:ASP324 4.4 73.3 1.0
CG2 B:VAL216 4.4 52.9 1.0
O B:LEU327 4.5 59.3 1.0
CD2 B:LEU331 4.5 47.7 1.0
CB B:ALA213 4.5 55.9 1.0
C B:LEU327 4.5 58.4 1.0
C B:GLY328 4.7 60.1 1.0
N B:ALA213 4.8 55.9 1.0
CB B:VAL216 4.8 52.3 1.0
O B:GLY328 4.9 60.2 1.0

Bromine binding site 5 out of 6 in 1e7b

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Bromine 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 Bromine with other atoms in the Br 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:Br4002

b:81.8
occ:0.48
BR B:HLT4002 0.0 81.8 0.5
C1 B:HLT4002 1.9 77.7 0.5
F2 B:HLT4002 2.6 75.5 0.5
C2 B:HLT4002 2.8 77.0 0.5
CL B:HLT4002 3.0 77.0 0.5
O B:LEU347 3.2 38.9 1.0
F3 B:HLT4002 3.6 76.7 0.5
F1 B:HLT4002 3.8 76.5 0.5
C B:LEU347 4.0 38.7 1.0
CB B:LEU347 4.0 38.1 1.0
N B:LYS351 4.1 45.1 1.0
CB B:ALA350 4.1 46.4 1.0
CA B:LEU347 4.1 38.2 1.0
CD2 B:LEU347 4.1 32.2 1.0
CB B:LYS351 4.1 48.0 1.0
CA B:LYS351 4.4 47.7 1.0
C B:ALA350 4.6 44.7 1.0
CG B:LEU347 4.7 38.0 1.0
CB B:ALA213 4.8 55.9 1.0
CA B:ALA350 5.0 45.5 1.0
CG2 B:VAL482 5.0 48.5 1.0

Bromine binding site 6 out of 6 in 1e7b

Go back to Bromine Binding Sites List in 1e7b
Bromine 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 Bromine with other atoms in the Br 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:Br4003

b:94.6
occ:0.46
BR B:HLT4003 0.0 94.6 0.5
C1 B:HLT4003 1.9 88.8 0.5
C2 B:HLT4003 2.8 87.7 0.5
F2 B:HLT4003 2.9 85.0 0.5
CL B:HLT4003 3.0 90.3 0.5
F1 B:HLT4003 3.0 87.0 0.5
CB B:ASN391 3.9 60.0 1.0
CA B:GLY434 3.9 70.3 1.0
CE2 B:PHE403 3.9 52.0 1.0
F3 B:HLT4003 4.0 85.6 0.5
N B:GLY434 4.0 69.8 1.0
CZ B:PHE403 4.1 52.9 1.0
SG B:CYS438 4.1 67.5 1.0
C B:ASN391 4.3 61.1 1.0
N B:CYS392 4.3 62.4 1.0
O B:ASN391 4.4 60.0 1.0
SG B:CYS392 4.5 67.7 1.0
CA B:CYS392 4.6 65.0 1.0
C B:VAL433 4.6 70.8 1.0
CB B:VAL433 4.7 73.8 1.0
CA B:ASN391 4.8 60.9 1.0
CG1 B:VAL433 4.9 74.4 1.0
CG B:ASN391 4.9 59.8 1.0

Reference:

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
Page generated: Sat Dec 12 02:00:14 2020

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