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Iron in PDB 1pge: Prostaglandin H2 Synthase-1 Complexed with P-(2'-Iodo-5'-Thenoyl) Hydrotropic Acid (Iodosuprofen)

Enzymatic activity of Prostaglandin H2 Synthase-1 Complexed with P-(2'-Iodo-5'-Thenoyl) Hydrotropic Acid (Iodosuprofen)

All present enzymatic activity of Prostaglandin H2 Synthase-1 Complexed with P-(2'-Iodo-5'-Thenoyl) Hydrotropic Acid (Iodosuprofen):
1.14.99.1;

Protein crystallography data

The structure of Prostaglandin H2 Synthase-1 Complexed with P-(2'-Iodo-5'-Thenoyl) Hydrotropic Acid (Iodosuprofen), PDB code: 1pge 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) 15.00 / 3.50
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 99.690, 209.940, 234.280, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 23.1

Other elements in 1pge:

The structure of Prostaglandin H2 Synthase-1 Complexed with P-(2'-Iodo-5'-Thenoyl) Hydrotropic Acid (Iodosuprofen) 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 P-(2'-Iodo-5'-Thenoyl) Hydrotropic Acid (Iodosuprofen) (pdb code 1pge). 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 P-(2'-Iodo-5'-Thenoyl) Hydrotropic Acid (Iodosuprofen), PDB code: 1pge:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1pge

Go back to Iron Binding Sites List in 1pge
Iron binding site 1 out of 2 in the Prostaglandin H2 Synthase-1 Complexed with P-(2'-Iodo-5'-Thenoyl) Hydrotropic Acid (Iodosuprofen)


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 P-(2'-Iodo-5'-Thenoyl) Hydrotropic Acid (Iodosuprofen) 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
NA A:HEM601 1.9 12.4 1.0
NB A:HEM601 1.9 14.3 1.0
NC A:HEM601 2.0 17.7 1.0
ND A:HEM601 2.0 18.6 1.0
NE2 A:HIS388 2.0 6.5 1.0
C4A A:HEM601 2.9 18.3 1.0
CE1 A:HIS388 2.9 23.5 1.0
C1A A:HEM601 2.9 13.0 1.0
C1B A:HEM601 3.0 9.7 1.0
C1C A:HEM601 3.0 19.4 1.0
C4B A:HEM601 3.0 16.3 1.0
C4C A:HEM601 3.0 22.3 1.0
C4D A:HEM601 3.1 18.0 1.0
C1D A:HEM601 3.1 18.2 1.0
CD2 A:HIS388 3.1 19.4 1.0
CHB A:HEM601 3.3 12.2 1.0
CHA A:HEM601 3.4 17.1 1.0
CHC A:HEM601 3.4 18.4 1.0
CHD A:HEM601 3.4 18.9 1.0
ND1 A:HIS388 4.1 15.8 1.0
C3A A:HEM601 4.1 17.4 1.0
C2A A:HEM601 4.2 12.5 1.0
CG A:HIS388 4.2 17.4 1.0
C2C A:HEM601 4.2 17.3 1.0
NE2 A:HIS207 4.2 28.6 1.0
C3C A:HEM601 4.2 23.1 1.0
C2D A:HEM601 4.3 18.8 1.0
C2B A:HEM601 4.3 10.3 1.0
C3B A:HEM601 4.3 8.9 1.0
C3D A:HEM601 4.3 16.5 1.0
CE1 A:HIS207 4.4 10.9 1.0
OE1 A:GLN203 4.9 27.8 1.0

Iron binding site 2 out of 2 in 1pge

Go back to Iron Binding Sites List in 1pge
Iron binding site 2 out of 2 in the Prostaglandin H2 Synthase-1 Complexed with P-(2'-Iodo-5'-Thenoyl) Hydrotropic Acid (Iodosuprofen)


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 P-(2'-Iodo-5'-Thenoyl) Hydrotropic Acid (Iodosuprofen) 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
NA B:HEM601 1.9 12.4 1.0
NB B:HEM601 1.9 14.3 1.0
NC B:HEM601 2.0 17.7 1.0
ND B:HEM601 2.0 18.6 1.0
NE2 B:HIS388 2.0 6.5 1.0
C4A B:HEM601 2.9 18.3 1.0
CE1 B:HIS388 2.9 23.5 1.0
C1A B:HEM601 2.9 13.0 1.0
C1B B:HEM601 3.0 9.7 1.0
C1C B:HEM601 3.0 19.4 1.0
C4B B:HEM601 3.0 16.3 1.0
C4C B:HEM601 3.0 22.3 1.0
C4D B:HEM601 3.1 18.0 1.0
C1D B:HEM601 3.1 18.2 1.0
CD2 B:HIS388 3.1 19.4 1.0
CHB B:HEM601 3.3 12.2 1.0
CHA B:HEM601 3.4 17.1 1.0
CHC B:HEM601 3.4 18.4 1.0
CHD B:HEM601 3.4 18.9 1.0
ND1 B:HIS388 4.1 15.8 1.0
C3A B:HEM601 4.1 17.4 1.0
C2A B:HEM601 4.2 12.5 1.0
CG B:HIS388 4.2 17.4 1.0
C2C B:HEM601 4.2 17.3 1.0
NE2 B:HIS207 4.2 28.6 1.0
C3C B:HEM601 4.2 23.1 1.0
C2D B:HEM601 4.3 18.8 1.0
C2B B:HEM601 4.3 10.3 1.0
C3B B:HEM601 4.3 8.9 1.0
C3D B:HEM601 4.3 16.5 1.0
CE1 B:HIS207 4.4 10.9 1.0
OE1 B:GLN203 4.9 27.8 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: Sun Dec 13 14:28:12 2020

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