Iron in PDB 2iag: Crystal Structure of Human Prostacyclin Synthase

All present enzymatic activity of Crystal Structure of Human Prostacyclin Synthase:
5.3.99.4;

The structure of Crystal Structure of Human Prostacyclin Synthase, PDB code: 2iag was solved by C.-W.Chiang, H.-C.Yeh, L.-H.Wang, N.-L.Chan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.15 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.733, 105.596, 73.950, 90.00, 92.01, 90.00
R / Rfree (%)	20.1 / 26.3

The structure of Crystal Structure of Human Prostacyclin Synthase also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the Crystal Structure of Human Prostacyclin Synthase (pdb code 2iag). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Human Prostacyclin Synthase, PDB code: 2iag:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Human Prostacyclin Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Human Prostacyclin Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:21.4 occ:1.00 FE A:HEM600 0.0 21.4 1.0 NA A:HEM600 2.0 23.1 1.0 NB A:HEM600 2.1 20.7 1.0 NC A:HEM600 2.1 22.4 1.0 ND A:HEM600 2.1 24.2 1.0 SG A:CYS441 2.5 19.4 1.0 C1A A:HEM600 3.0 24.1 1.0 C4A A:HEM600 3.0 23.2 1.0 C4B A:HEM600 3.1 21.7 1.0 C1B A:HEM600 3.1 22.4 1.0 C1C A:HEM600 3.1 22.3 1.0 C4D A:HEM600 3.1 26.1 1.0 C4C A:HEM600 3.1 21.8 1.0 C1D A:HEM600 3.1 23.9 1.0 CHA A:HEM600 3.4 24.4 1.0 CHB A:HEM600 3.4 22.3 1.0 CHC A:HEM600 3.4 22.2 1.0 CB A:CYS441 3.5 25.0 1.0 CHD A:HEM600 3.5 23.8 1.0 CA A:CYS441 3.9 25.5 1.0 O A:HOH746 4.1 30.4 1.0 O A:ALA283 4.1 18.6 1.0 O A:HOH604 4.2 31.2 1.0 C2A A:HEM600 4.2 24.7 1.0 C3A A:HEM600 4.3 24.1 1.0 C2B A:HEM600 4.3 21.5 1.0 C3B A:HEM600 4.3 21.4 1.0 C2C A:HEM600 4.3 22.1 1.0 C3C A:HEM600 4.3 22.5 1.0 C2D A:HEM600 4.3 24.9 1.0 C3D A:HEM600 4.3 26.7 1.0 N A:LEU442 4.6 24.6 1.0 ND2 A:ASN287 4.7 17.7 1.0 C A:CYS441 4.7 25.2 1.0 N A:GLY443 4.7 23.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Human Prostacyclin Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Human Prostacyclin Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe600 b:22.7 occ:1.00 FE B:HEM600 0.0 22.7 1.0 NA B:HEM600 2.0 23.4 1.0 ND B:HEM600 2.1 25.9 1.0 NB B:HEM600 2.1 20.8 1.0 NC B:HEM600 2.1 22.9 1.0 SG B:CYS441 2.5 16.2 1.0 C1B B:HEM600 3.0 20.9 1.0 C4A B:HEM600 3.0 22.4 1.0 C1D B:HEM600 3.1 27.7 1.0 C4D B:HEM600 3.1 27.8 1.0 C1A B:HEM600 3.1 24.5 1.0 C4C B:HEM600 3.1 22.6 1.0 C4B B:HEM600 3.1 21.8 1.0 C1C B:HEM600 3.2 20.9 1.0 O B:HOH790 3.3 38.9 1.0 CB B:CYS441 3.4 20.0 1.0 CHB B:HEM600 3.4 22.2 1.0 CHD B:HEM600 3.4 25.8 1.0 CHA B:HEM600 3.5 25.6 1.0 CHC B:HEM600 3.5 22.2 1.0 CA B:CYS441 4.0 20.1 1.0 O B:ALA283 4.2 18.9 1.0 C2B B:HEM600 4.3 19.8 1.0 C3A B:HEM600 4.3 23.3 1.0 O B:HOH843 4.3 21.9 1.0 C2A B:HEM600 4.3 25.2 1.0 C2D B:HEM600 4.3 29.6 1.0 C3D B:HEM600 4.3 31.0 1.0 C3B B:HEM600 4.3 19.3 1.0 C2C B:HEM600 4.4 22.2 1.0 C3C B:HEM600 4.4 22.6 1.0 N B:LEU442 4.7 18.9 1.0 C B:CYS441 4.8 20.0 1.0 N B:GLY443 4.8 16.2 1.0

C.-W.Chiang, H.-C.Yeh, L.-H.Wang, N.-L.Chan. Crystal Structure of the Human Prostacyclin Synthase J.Mol.Biol. V. 364 266 2006.
ISSN: ISSN 0022-2836
PubMed: 17020766
DOI: 10.1016/J.JMB.2006.09.039