Atomistry » Iron » PDB 1ozr-1pha » 1pgf
Atomistry »
  Iron »
    PDB 1ozr-1pha »
      1pgf »

Iron in PDB 1pgf: Prostaglandin H2 Synthase-1 Complexed with 1-(4-Iodobenzoyl)-5- Methoxy-2-Methylindole-3-Acetic Acid (Iodoindomethacin), Cis Model

Enzymatic activity of Prostaglandin H2 Synthase-1 Complexed with 1-(4-Iodobenzoyl)-5- Methoxy-2-Methylindole-3-Acetic Acid (Iodoindomethacin), Cis Model

All present enzymatic activity of Prostaglandin H2 Synthase-1 Complexed with 1-(4-Iodobenzoyl)-5- Methoxy-2-Methylindole-3-Acetic Acid (Iodoindomethacin), Cis Model:
1.14.99.1;

Protein crystallography data

The structure of Prostaglandin H2 Synthase-1 Complexed with 1-(4-Iodobenzoyl)-5- Methoxy-2-Methylindole-3-Acetic Acid (Iodoindomethacin), Cis Model, PDB code: 1pgf 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 / 4.50
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 99.220, 208.990, 232.430, 90.00, 90.00, 90.00
R / Rfree (%) 25.4 / 26.7

Other elements in 1pgf:

The structure of Prostaglandin H2 Synthase-1 Complexed with 1-(4-Iodobenzoyl)-5- Methoxy-2-Methylindole-3-Acetic Acid (Iodoindomethacin), Cis Model also contains other interesting chemical elements:

Iodine (I) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Prostaglandin H2 Synthase-1 Complexed with 1-(4-Iodobenzoyl)-5- Methoxy-2-Methylindole-3-Acetic Acid (Iodoindomethacin), Cis Model (pdb code 1pgf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Prostaglandin H2 Synthase-1 Complexed with 1-(4-Iodobenzoyl)-5- Methoxy-2-Methylindole-3-Acetic Acid (Iodoindomethacin), Cis Model, PDB code: 1pgf:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1pgf

Go back to Iron Binding Sites List in 1pgf
Iron binding site 1 out of 2 in the Prostaglandin H2 Synthase-1 Complexed with 1-(4-Iodobenzoyl)-5- Methoxy-2-Methylindole-3-Acetic Acid (Iodoindomethacin), Cis Model


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Prostaglandin H2 Synthase-1 Complexed with 1-(4-Iodobenzoyl)-5- Methoxy-2-Methylindole-3-Acetic Acid (Iodoindomethacin), Cis Model within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:16.4
occ:1.00
 FE A:HEM601 0.0 16.4 1.0
NC A:HEM601 1.9 17.7 1.0
NB A:HEM601 1.9 14.3 1.0
NA A:HEM601 1.9 12.4 1.0
ND A:HEM601 2.0 18.6 1.0
NE2 A:HIS388 2.1 6.5 1.0
C4A A:HEM601 2.9 18.3 1.0
C1C A:HEM601 2.9 19.4 1.0
C1B A:HEM601 2.9 9.7 1.0
C4C A:HEM601 2.9 22.3 1.0
C4B A:HEM601 3.0 16.3 1.0
C1A A:HEM601 3.0 13.0 1.0
C1D A:HEM601 3.1 18.2 1.0
CD2 A:HIS388 3.1 19.4 1.0
C4D A:HEM601 3.1 18.0 1.0
CE1 A:HIS388 3.1 23.5 1.0
CHB A:HEM601 3.2 12.2 1.0
CHC A:HEM601 3.3 18.4 1.0
CHD A:HEM601 3.4 18.9 1.0
CHA A:HEM601 3.5 17.1 1.0
OE1 A:GLN203 3.5 27.8 1.0
NE2 A:HIS207 4.1 28.6 1.0
C3C A:HEM601 4.1 23.1 1.0
C2C A:HEM601 4.1 17.3 1.0
C3A A:HEM601 4.2 17.4 1.0
C2B A:HEM601 4.2 10.3 1.0
ND1 A:HIS388 4.2 15.8 1.0
CG A:HIS388 4.2 17.4 1.0
C2A A:HEM601 4.3 12.5 1.0
CE1 A:HIS207 4.3 10.9 1.0
C3B A:HEM601 4.3 8.9 1.0
C2D A:HEM601 4.3 18.8 1.0
C3D A:HEM601 4.3 16.5 1.0
CD A:GLN203 4.5 18.9 1.0

Iron binding site 2 out of 2 in 1pgf

Go back to Iron Binding Sites List in 1pgf
Iron binding site 2 out of 2 in the Prostaglandin H2 Synthase-1 Complexed with 1-(4-Iodobenzoyl)-5- Methoxy-2-Methylindole-3-Acetic Acid (Iodoindomethacin), Cis Model


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Prostaglandin H2 Synthase-1 Complexed with 1-(4-Iodobenzoyl)-5- Methoxy-2-Methylindole-3-Acetic Acid (Iodoindomethacin), Cis Model within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe601

b:16.4
occ:1.00
 FE B:HEM601 0.0 16.4 1.0
NC B:HEM601 1.9 17.7 1.0
NB B:HEM601 1.9 14.3 1.0
NA B:HEM601 1.9 12.4 1.0
ND B:HEM601 2.0 18.6 1.0
NE2 B:HIS388 2.1 6.5 1.0
C4A B:HEM601 2.9 18.3 1.0
C1C B:HEM601 2.9 19.4 1.0
C1B B:HEM601 2.9 9.7 1.0
C4C B:HEM601 2.9 22.3 1.0
C4B B:HEM601 3.0 16.3 1.0
C1A B:HEM601 3.0 13.0 1.0
C1D B:HEM601 3.1 18.2 1.0
CD2 B:HIS388 3.1 19.4 1.0
C4D B:HEM601 3.1 18.0 1.0
CE1 B:HIS388 3.1 23.5 1.0
CHB B:HEM601 3.2 12.2 1.0
CHC B:HEM601 3.3 18.4 1.0
CHD B:HEM601 3.4 18.9 1.0
CHA B:HEM601 3.5 17.1 1.0
OE1 B:GLN203 3.5 27.8 1.0
NE2 B:HIS207 4.1 28.6 1.0
C3C B:HEM601 4.1 23.1 1.0
C2C B:HEM601 4.1 17.3 1.0
C3A B:HEM601 4.2 17.4 1.0
C2B B:HEM601 4.2 10.3 1.0
ND1 B:HIS388 4.2 15.8 1.0
CG B:HIS388 4.2 17.4 1.0
C2A B:HEM601 4.3 12.5 1.0
CE1 B:HIS207 4.3 10.9 1.0
C3B B:HEM601 4.3 8.9 1.0
C2D B:HEM601 4.3 18.8 1.0
C3D B:HEM601 4.3 16.5 1.0
CD B:GLN203 4.5 18.9 1.0

Reference:

P.J.Loll, D.Picot, O.Ekabo, R.M.Garavito. Synthesis and Use of Iodinated Nonsteroidal Antiinflammatory Drug Analogs As Crystallographic Probes of the Prostaglandin H2 Synthase Cyclooxygenase Active Site. Biochemistry V. 35 7330 1996.
ISSN: ISSN 0006-2960
PubMed: 8652509
DOI: 10.1021/BI952776W
Page generated: Sat Aug 3 13:04:58 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy