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

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

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

All present enzymatic activity of Prostaglandin H2 Synthase-1 Complexed with 1-(4-Iodobenzoyl)-5- Methoxy-2-Methylindole-3-Acetic Acid (Iodoindomethacin), Trans 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), Trans Model, PDB code: 1pgg 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 1pgg:

The structure of Prostaglandin H2 Synthase-1 Complexed with 1-(4-Iodobenzoyl)-5- Methoxy-2-Methylindole-3-Acetic Acid (Iodoindomethacin), Trans 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), Trans Model (pdb code 1pgg). 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), Trans Model, PDB code: 1pgg:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1pgg

Go back to Iron Binding Sites List in 1pgg
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), Trans 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), Trans 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
NA A:HEM601 1.9 12.4 1.0
NB A:HEM601 1.9 14.3 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
C3C A:HEM601 4.1 23.1 1.0
NE2 A:HIS207 4.1 28.6 1.0
C2C A:HEM601 4.1 17.3 1.0
C3A A:HEM601 4.2 17.4 1.0
ND1 A:HIS388 4.2 15.8 1.0
CG A:HIS388 4.2 17.4 1.0
C2B A:HEM601 4.2 10.3 1.0
OE1 A:GLN203 4.3 27.8 1.0
C2A A:HEM601 4.3 12.5 1.0
C3B A:HEM601 4.3 8.9 1.0
CE1 A:HIS207 4.3 10.9 1.0
C2D A:HEM601 4.3 18.8 1.0
C3D A:HEM601 4.3 16.5 1.0
CD A:GLN203 4.7 18.9 1.0
CG A:GLN203 4.7 12.6 1.0

Iron binding site 2 out of 2 in 1pgg

Go back to Iron Binding Sites List in 1pgg
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), Trans 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), Trans 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
NA B:HEM601 1.9 12.4 1.0
NB B:HEM601 1.9 14.3 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
C3C B:HEM601 4.1 23.1 1.0
NE2 B:HIS207 4.1 28.6 1.0
C2C B:HEM601 4.1 17.3 1.0
C3A B:HEM601 4.2 17.4 1.0
ND1 B:HIS388 4.2 15.8 1.0
CG B:HIS388 4.2 17.4 1.0
C2B B:HEM601 4.2 10.3 1.0
OE1 B:GLN203 4.3 27.8 1.0
C2A B:HEM601 4.3 12.5 1.0
C3B B:HEM601 4.3 8.9 1.0
CE1 B:HIS207 4.3 10.9 1.0
C2D B:HEM601 4.3 18.8 1.0
C3D B:HEM601 4.3 16.5 1.0
CD B:GLN203 4.7 18.9 1.0
CG B:GLN203 4.7 12.6 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 13:04:59 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy