Iron in PDB 6n6q: Crystal Structure of A Cytochrome P450 (CYP102L1)

The structure of Crystal Structure of A Cytochrome P450 (CYP102L1), PDB code: 6n6q was solved by A.H.Follmer, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.56 / 2.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	119.899, 174.090, 203.469, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 28.9

The structure of Crystal Structure of A Cytochrome P450 (CYP102L1) also contains other interesting chemical elements:

Arsenic

(As)

5 atoms

The binding sites of Iron atom in the Crystal Structure of A Cytochrome P450 (CYP102L1) (pdb code 6n6q). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of A Cytochrome P450 (CYP102L1), PDB code: 6n6q:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of A Cytochrome P450 (CYP102L1)


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 A Cytochrome P450 (CYP102L1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:54.9 occ:1.00 FE A:HEM501 0.0 54.9 1.0 NB A:HEM501 2.0 48.4 1.0 ND A:HEM501 2.1 46.0 1.0 NC A:HEM501 2.1 47.6 1.0 NA A:HEM501 2.1 50.0 1.0 SG A:CYS430 2.8 42.6 1.0 C1B A:HEM501 3.1 48.9 1.0 C1D A:HEM501 3.1 45.1 1.0 C4B A:HEM501 3.1 51.7 1.0 C1C A:HEM501 3.1 43.2 1.0 C4C A:HEM501 3.1 43.6 1.0 C4A A:HEM501 3.1 45.9 1.0 C4D A:HEM501 3.1 43.0 1.0 C1A A:HEM501 3.1 43.3 1.0 CHD A:HEM501 3.4 41.7 1.0 CHB A:HEM501 3.4 48.3 1.0 CHC A:HEM501 3.4 46.3 1.0 CHA A:HEM501 3.5 46.2 1.0 CB A:CYS430 3.6 47.6 1.0 O A:ALA289 4.1 52.7 1.0 C2B A:HEM501 4.3 54.6 1.0 C2D A:HEM501 4.3 44.8 1.0 C3B A:HEM501 4.3 49.0 1.0 C2C A:HEM501 4.3 53.4 1.0 C3D A:HEM501 4.3 40.4 1.0 C3C A:HEM501 4.3 49.4 1.0 C3A A:HEM501 4.3 44.2 1.0 C2A A:HEM501 4.3 48.0 1.0 CA A:CYS430 4.4 48.1 1.0 C A:ALA289 4.9 56.7 1.0 OG1 A:THR293 5.0 55.9 1.0

Iron binding site 2 out of 4 in the Crystal Structure of A Cytochrome P450 (CYP102L1)


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 A Cytochrome P450 (CYP102L1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:64.8 occ:1.00 FE B:HEM501 0.0 64.8 1.0 ND B:HEM501 2.0 53.0 1.0 NC B:HEM501 2.0 57.6 1.0 NB B:HEM501 2.0 53.9 1.0 NA B:HEM501 2.1 49.7 1.0 SG B:CYS430 2.9 61.7 1.0 C4C B:HEM501 3.0 56.1 1.0 C1C B:HEM501 3.1 53.6 1.0 C1D B:HEM501 3.1 52.1 1.0 C4B B:HEM501 3.1 56.8 1.0 C4D B:HEM501 3.1 57.9 1.0 C1B B:HEM501 3.1 44.8 1.0 C1A B:HEM501 3.1 51.6 1.0 C4A B:HEM501 3.1 49.5 1.0 CHD B:HEM501 3.4 56.5 1.0 CHC B:HEM501 3.4 54.8 1.0 CHA B:HEM501 3.4 56.2 1.0 CHB B:HEM501 3.4 49.6 1.0 CB B:CYS430 3.5 58.6 1.0 O B:ALA289 4.0 67.9 1.0 CA B:CYS430 4.2 55.4 1.0 C3C B:HEM501 4.3 53.8 1.0 C2C B:HEM501 4.3 56.6 1.0 C2D B:HEM501 4.3 53.4 1.0 C3D B:HEM501 4.3 56.2 1.0 C2B B:HEM501 4.3 46.9 1.0 C2A B:HEM501 4.3 49.7 1.0 C3B B:HEM501 4.3 52.9 1.0 C3A B:HEM501 4.3 48.3 1.0 CB B:ALA289 4.8 54.2 1.0 C B:ALA289 4.9 63.6 1.0 C B:CYS430 5.0 61.7 1.0

Iron binding site 3 out of 4 in the Crystal Structure of A Cytochrome P450 (CYP102L1)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of A Cytochrome P450 (CYP102L1) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:64.6 occ:1.00 FE C:HEM501 0.0 64.6 1.0 NA C:HEM501 2.0 51.9 1.0 NB C:HEM501 2.0 53.7 1.0 ND C:HEM501 2.0 56.9 1.0 NC C:HEM501 2.1 55.2 1.0 O C:HOH603 2.7 55.9 1.0 SG C:CYS430 2.9 57.0 1.0 C4D C:HEM501 3.1 51.5 1.0 C4B C:HEM501 3.1 54.5 1.0 C1A C:HEM501 3.1 48.9 1.0 C4A C:HEM501 3.1 53.2 1.0 C1B C:HEM501 3.1 51.8 1.0 C1C C:HEM501 3.1 59.0 1.0 C1D C:HEM501 3.1 49.0 1.0 C4C C:HEM501 3.1 51.8 1.0 CHA C:HEM501 3.4 53.3 1.0 CHC C:HEM501 3.4 58.1 1.0 CHB C:HEM501 3.4 51.5 1.0 CHD C:HEM501 3.4 52.9 1.0 CB C:CYS430 3.6 53.8 1.0 O C:ALA289 3.9 67.6 1.0 CA C:CYS430 4.3 51.1 1.0 C3D C:HEM501 4.3 50.2 1.0 C3A C:HEM501 4.3 52.6 1.0 C2A C:HEM501 4.3 54.1 1.0 C2B C:HEM501 4.3 58.7 1.0 C3B C:HEM501 4.3 56.5 1.0 C2D C:HEM501 4.3 57.4 1.0 C2C C:HEM501 4.3 55.2 1.0 C3C C:HEM501 4.3 52.1 1.0 CE2 C:PHE108 4.5 54.1 1.0 C C:ALA289 4.9 65.4 1.0

Iron binding site 4 out of 4 in the Crystal Structure of A Cytochrome P450 (CYP102L1)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of A Cytochrome P450 (CYP102L1) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:63.7 occ:1.00 FE D:HEM501 0.0 63.7 1.0 NB D:HEM501 2.0 42.4 1.0 ND D:HEM501 2.0 52.5 1.0 NC D:HEM501 2.1 58.6 1.0 NA D:HEM501 2.1 56.1 1.0 SG D:CYS430 2.9 57.1 1.0 C4C D:HEM501 3.1 51.8 1.0 C1D D:HEM501 3.1 57.1 1.0 C1C D:HEM501 3.1 50.1 1.0 C1B D:HEM501 3.1 42.3 1.0 C4B D:HEM501 3.1 52.1 1.0 C4D D:HEM501 3.1 56.9 1.0 C4A D:HEM501 3.1 44.8 1.0 C1A D:HEM501 3.1 52.1 1.0 CHD D:HEM501 3.4 57.4 1.0 CHB D:HEM501 3.4 50.0 1.0 CHC D:HEM501 3.4 50.2 1.0 CHA D:HEM501 3.5 53.7 1.0 CB D:CYS430 3.6 57.7 1.0 O D:ALA289 4.1 60.6 1.0 CA D:CYS430 4.3 53.5 1.0 C3C D:HEM501 4.3 59.8 1.0 C2C D:HEM501 4.3 58.8 1.0 C2D D:HEM501 4.3 53.6 1.0 C3D D:HEM501 4.3 54.2 1.0 C2B D:HEM501 4.3 45.4 1.0 C3B D:HEM501 4.3 47.2 1.0 C3A D:HEM501 4.3 54.2 1.0 C2A D:HEM501 4.3 56.5 1.0 CE2 D:PHE108 4.6 64.3 1.0 OG1 D:THR293 4.9 67.4 1.0 CB D:ALA289 4.9 58.1 1.0 C D:ALA289 5.0 62.1 1.0

D.C.Lamb, A.H.Follmer, J.V.Goldstone, D.R.Nelson, A.G.Warrilow, C.L.Price, M.Y.True, S.L.Kelly, T.L.Poulos, J.J.Stegeman. On the Occurrence of Cytochrome P450 in Viruses. Proc.Natl.Acad.Sci.Usa V. 116 12343 2019.
ISSN: ESSN 1091-6490
PubMed: 31167942
DOI: 10.1073/PNAS.1901080116