Atomistry » Iron » PDB 1phb-1q5d » 1pth
Atomistry »
  Iron »
    PDB 1phb-1q5d »
      1pth »

Iron 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:

Bromine (Br) 2 atoms

Iron Binding Sites:

The binding sites of Iron 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 Iron atom.
In total 2 binding sites of Iron 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 Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1pth

Go back to Iron Binding Sites List in 1pth
Iron 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 Iron with other atoms in the Fe 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:Fe601

b:15.1
occ:1.00
FE A:HEM601 0.0 15.1 1.0
NA A:HEM601 1.9 11.1 1.0
NC A:HEM601 1.9 16.3 1.0
NB A:HEM601 2.0 12.9 1.0
ND A:HEM601 2.0 17.2 1.0
NE2 A:HIS388 2.1 5.0 1.0
C4A A:HEM601 2.9 17.0 1.0
C4C A:HEM601 3.0 21.0 1.0
C1A A:HEM601 3.0 11.7 1.0
C1B A:HEM601 3.0 8.4 1.0
C1C A:HEM601 3.0 18.1 1.0
C1D A:HEM601 3.0 16.9 1.0
C4D A:HEM601 3.0 16.7 1.0
CE1 A:HIS388 3.1 21.9 1.0
C4B A:HEM601 3.1 14.9 1.0
CD2 A:HIS388 3.1 17.8 1.0
CHB A:HEM601 3.3 10.8 1.0
CHD A:HEM601 3.4 17.6 1.0
CHA A:HEM601 3.4 15.8 1.0
CHC A:HEM601 3.5 17.0 1.0
OE1 A:GLN203 3.6 26.2 1.0
C3C A:HEM601 4.2 21.8 1.0
C3A A:HEM601 4.2 16.1 1.0
C2C A:HEM601 4.2 16.0 1.0
NE2 A:HIS207 4.2 27.0 1.0
ND1 A:HIS388 4.2 14.3 1.0
C2D A:HEM601 4.3 17.5 1.0
C2A A:HEM601 4.3 11.1 1.0
C3D A:HEM601 4.3 15.2 1.0
CG A:HIS388 4.3 15.9 1.0
C2B A:HEM601 4.3 9.0 1.0
CE1 A:HIS207 4.3 9.3 1.0
C3B A:HEM601 4.4 7.6 1.0
CD A:GLN203 4.8 17.4 1.0

Iron binding site 2 out of 2 in 1pth

Go back to Iron Binding Sites List in 1pth
Iron 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 Iron with other atoms in the Fe 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:Fe602

b:15.1
occ:1.00
FE B:HEM602 0.0 15.1 1.0
NA B:HEM602 1.9 11.1 1.0
NC B:HEM602 1.9 16.3 1.0
NB B:HEM602 2.0 12.9 1.0
ND B:HEM602 2.0 17.2 1.0
NE2 B:HIS388 2.1 5.0 1.0
C4A B:HEM602 2.9 17.0 1.0
C4C B:HEM602 3.0 21.0 1.0
C1A B:HEM602 3.0 11.7 1.0
C1B B:HEM602 3.0 8.4 1.0
C1C B:HEM602 3.0 18.1 1.0
C1D B:HEM602 3.0 16.9 1.0
C4D B:HEM602 3.0 16.7 1.0
CE1 B:HIS388 3.1 21.9 1.0
C4B B:HEM602 3.1 14.9 1.0
CD2 B:HIS388 3.1 17.8 1.0
CHB B:HEM602 3.3 10.8 1.0
CHD B:HEM602 3.4 17.6 1.0
CHA B:HEM602 3.4 15.8 1.0
CHC B:HEM602 3.5 17.0 1.0
OE1 B:GLN203 3.6 26.2 1.0
C3C B:HEM602 4.2 21.8 1.0
C3A B:HEM602 4.2 16.1 1.0
C2C B:HEM602 4.2 16.0 1.0
NE2 B:HIS207 4.2 27.0 1.0
ND1 B:HIS388 4.2 14.3 1.0
C2D B:HEM602 4.3 17.5 1.0
C2A B:HEM602 4.3 11.1 1.0
C3D B:HEM602 4.3 15.2 1.0
CG B:HIS388 4.3 15.9 1.0
C2B B:HEM602 4.3 9.0 1.0
CE1 B:HIS207 4.3 9.3 1.0
C3B B:HEM602 4.4 7.6 1.0
CD B:GLN203 4.8 17.4 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: Sun Dec 13 14:28:48 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy