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Bromine in PDB 1pth: The Structural Basis of Aspirin Activity Inferred From the Crystal Structure of Inactivated Prostaglandin H2 Synthase

Enzymatic activity of The Structural Basis of Aspirin Activity Inferred From the Crystal Structure of Inactivated Prostaglandin H2 Synthase

All present enzymatic activity of The Structural Basis of Aspirin Activity Inferred From the Crystal Structure of Inactivated Prostaglandin H2 Synthase:
1.14.99.1;

Protein crystallography data

The structure of The Structural Basis of Aspirin Activity Inferred From the Crystal Structure of Inactivated Prostaglandin H2 Synthase, PDB code: 1pth was solved by P.J.Loll, D.Picot, R.M.Garavito, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 3.40
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 99.570, 209.800, 235.000, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 22.7

Other elements in 1pth:

The structure of The Structural Basis of Aspirin Activity Inferred From the Crystal Structure of Inactivated Prostaglandin H2 Synthase also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the The Structural Basis of Aspirin Activity Inferred From the Crystal Structure of Inactivated Prostaglandin H2 Synthase (pdb code 1pth). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the The Structural Basis of Aspirin Activity Inferred From the Crystal Structure of Inactivated Prostaglandin H2 Synthase, PDB code: 1pth:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 1pth

Go back to Bromine Binding Sites List in 1pth
Bromine binding site 1 out of 2 in the The Structural Basis of Aspirin Activity Inferred From the Crystal Structure of Inactivated Prostaglandin H2 Synthase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Structural Basis of Aspirin Activity Inferred From the Crystal Structure of Inactivated Prostaglandin H2 Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br530

b:44.8
occ:1.00
 BR2 A:0AH530 0.0 44.8 1.0
C2 A:0AH530 1.9 44.8 1.0
C1 A:0AH530 2.9 44.8 1.0
O2 A:0AH530 3.1 44.8 1.0
C4 A:SAL710 3.4 40.0 1.0
C5 A:SAL710 3.9 40.0 1.0
C A:GLY526 4.0 5.9 1.0
CD1 A:LEU352 4.0 16.6 1.0
N A:ALA527 4.1 1.4 1.0
CZ2 A:TRP387 4.1 2.8 1.0
O1 A:0AH530 4.1 44.8 1.0
CA A:GLY526 4.2 2.1 1.0
CH2 A:TRP387 4.2 13.0 1.0
O A:GLY526 4.3 16.0 1.0
C3 A:SAL710 4.3 40.0 1.0
CB A:0AH530 4.5 19.4 1.0
CA A:ALA527 4.6 0.4 1.0
O A:MET522 4.7 24.3 1.0
OH A:TYR385 4.9 19.1 1.0

Bromine binding site 2 out of 2 in 1pth

Go back to Bromine Binding Sites List in 1pth
Bromine binding site 2 out of 2 in the The Structural Basis of Aspirin Activity Inferred From the Crystal Structure of Inactivated Prostaglandin H2 Synthase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Structural Basis of Aspirin Activity Inferred From the Crystal Structure of Inactivated Prostaglandin H2 Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br530

b:44.8
occ:1.00
 BR2 B:0AH530 0.0 44.8 1.0
C2 B:0AH530 1.9 44.8 1.0
C1 B:0AH530 2.9 44.8 1.0
O2 B:0AH530 3.1 44.8 1.0
C4 B:SAL711 3.4 40.0 1.0
C5 B:SAL711 3.9 40.0 1.0
C B:GLY526 4.0 5.9 1.0
CD1 B:LEU352 4.0 16.6 1.0
N B:ALA527 4.1 1.4 1.0
CZ2 B:TRP387 4.1 2.8 1.0
O1 B:0AH530 4.1 44.8 1.0
CA B:GLY526 4.2 2.1 1.0
CH2 B:TRP387 4.2 13.0 1.0
O B:GLY526 4.3 16.0 1.0
C3 B:SAL711 4.3 40.0 1.0
CB B:0AH530 4.5 19.4 1.0
CA B:ALA527 4.6 0.4 1.0
O B:MET522 4.7 24.3 1.0
OH B:TYR385 4.9 19.1 1.0

Reference:

P.J.Loll, D.Picot, R.M.Garavito. The Structural Basis of Aspirin Activity Inferred From the Crystal Structure of Inactivated Prostaglandin H2 Synthase. Nat.Struct.Biol. V. 2 637 1995.
ISSN: ISSN 1072-8368
PubMed: 7552725
DOI: 10.1038/NSB0895-637
Page generated: Mon Jul 7 03:40:34 2025

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