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

Protein crystallography data

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

Other elements in 6n6q:

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

Arsenic (As) 5 atoms

Iron Binding Sites:

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 6n6q

Go back to Iron Binding Sites List in 6n6q
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 6n6q

Go back to Iron Binding Sites List in 6n6q
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 6n6q

Go back to Iron Binding Sites List in 6n6q
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 6n6q

Go back to Iron Binding Sites List in 6n6q
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

Reference:

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
Page generated: Wed Aug 7 02:52:15 2024

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