Iron in PDB 3b98: Crystal Structure of Zebrafish Prostacyclin Synthase (Cytochrome P450 8A1)

All present enzymatic activity of Crystal Structure of Zebrafish Prostacyclin Synthase (Cytochrome P450 8A1):
5.3.99.4;

The structure of Crystal Structure of Zebrafish Prostacyclin Synthase (Cytochrome P450 8A1), PDB code: 3b98 was solved by Y.-C.Li, C.-W.Chiang, H.-C.Yeh, P.-Y.Hsu, F.G.Whitby, 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)	30.00 / 2.08
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.667, 87.896, 190.854, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 26.4

The binding sites of Iron atom in the Crystal Structure of Zebrafish Prostacyclin Synthase (Cytochrome P450 8A1) (pdb code 3b98). 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 Zebrafish Prostacyclin Synthase (Cytochrome P450 8A1), PDB code: 3b98:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Zebrafish Prostacyclin Synthase (Cytochrome P450 8A1)


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 Zebrafish Prostacyclin Synthase (Cytochrome P450 8A1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:14.7 occ:1.00 FE A:HEM600 0.0 14.7 1.0 NA A:HEM600 2.0 15.9 1.0 NB A:HEM600 2.1 14.8 1.0 ND A:HEM600 2.1 16.4 1.0 NC A:HEM600 2.1 13.5 1.0 SG A:CYS421 2.3 15.4 1.0 O A:HOH768 2.5 20.4 1.0 C4A A:HEM600 3.0 15.8 1.0 C1B A:HEM600 3.0 13.4 1.0 C4C A:HEM600 3.1 12.8 1.0 C1D A:HEM600 3.1 15.5 1.0 C1A A:HEM600 3.1 18.1 1.0 C4D A:HEM600 3.1 17.3 1.0 C4B A:HEM600 3.1 13.8 1.0 C1C A:HEM600 3.1 11.5 1.0 CHB A:HEM600 3.4 15.6 1.0 CHD A:HEM600 3.4 15.0 1.0 CB A:CYS421 3.4 15.1 1.0 CHA A:HEM600 3.4 17.6 1.0 CHC A:HEM600 3.5 12.9 1.0 CA A:CYS421 4.3 15.4 1.0 C3A A:HEM600 4.3 16.6 1.0 O A:VAL273 4.3 13.9 1.0 C2B A:HEM600 4.3 13.2 1.0 C2A A:HEM600 4.3 18.7 1.0 C3C A:HEM600 4.3 13.0 1.0 C3B A:HEM600 4.3 12.9 1.0 C2C A:HEM600 4.3 10.8 1.0 C2D A:HEM600 4.3 17.8 1.0 C3D A:HEM600 4.3 18.5 1.0 O A:HOH673 4.4 26.9 1.0 O A:HOH691 4.5 33.7 1.0 ND2 A:ASN277 4.6 12.8 1.0 N A:GLY423 4.9 14.2 1.0 C A:CYS421 4.9 16.6 1.0 CD A:PRO422 4.9 16.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Zebrafish Prostacyclin Synthase (Cytochrome P450 8A1)


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 Zebrafish Prostacyclin Synthase (Cytochrome P450 8A1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe600 b:22.0 occ:1.00 FE B:HEM600 0.0 22.0 1.0 ND B:HEM600 2.0 22.6 1.0 NC B:HEM600 2.1 21.1 1.0 NB B:HEM600 2.1 21.8 1.0 NA B:HEM600 2.1 22.2 1.0 SG B:CYS421 2.4 21.0 1.0 C1D B:HEM600 3.0 22.8 1.0 C4C B:HEM600 3.0 21.1 1.0 C4D B:HEM600 3.1 23.8 1.0 C1B B:HEM600 3.1 21.8 1.0 C1C B:HEM600 3.1 21.6 1.0 C1A B:HEM600 3.1 22.5 1.0 C4A B:HEM600 3.1 21.7 1.0 C4B B:HEM600 3.1 22.3 1.0 CHD B:HEM600 3.4 22.2 1.0 CB B:CYS421 3.4 18.9 1.0 CHA B:HEM600 3.4 22.7 1.0 CHB B:HEM600 3.4 22.8 1.0 CHC B:HEM600 3.5 22.0 1.0 O B:VAL273 4.1 23.5 1.0 CA B:CYS421 4.3 19.6 1.0 C3C B:HEM600 4.3 21.7 1.0 C2B B:HEM600 4.3 23.0 1.0 C2D B:HEM600 4.3 23.8 1.0 C3D B:HEM600 4.3 25.0 1.0 C2C B:HEM600 4.3 21.8 1.0 C3A B:HEM600 4.3 21.7 1.0 C2A B:HEM600 4.3 23.2 1.0 C3B B:HEM600 4.3 22.1 1.0 O B:HOH606 4.6 28.9 1.0 ND2 B:ASN277 4.6 24.0 1.0 N B:GLY423 4.9 19.7 1.0 C B:CYS421 4.9 18.0 1.0 CD B:PRO422 5.0 17.2 1.0

Y.-C.Li, C.-W.Chiang, H.-C.Yeh, P.-Y.Hsu, F.G.Whitby, L.-H.Wang, N.-L.Chan. Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal A Ligand-Specific Heme Conformation Change J.Biol.Chem. V. 283 2917 2008.
ISSN: ISSN 0021-9258
PubMed: 18032380
DOI: 10.1074/JBC.M707470200