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Iron in PDB 7snm: Lanosterol-Bound P450 Domain of the CYP51-Ferredoxin Fusion Protein From Methylococcus Capsulatus

Enzymatic activity of Lanosterol-Bound P450 Domain of the CYP51-Ferredoxin Fusion Protein From Methylococcus Capsulatus

All present enzymatic activity of Lanosterol-Bound P450 Domain of the CYP51-Ferredoxin Fusion Protein From Methylococcus Capsulatus:
1.14.13.70;

Protein crystallography data

The structure of Lanosterol-Bound P450 Domain of the CYP51-Ferredoxin Fusion Protein From Methylococcus Capsulatus, PDB code: 7snm was solved by G.I.Lepesheva, T.Hargrove, Z.Wawrzak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 74.45 / 2.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.21, 206.16, 81.43, 90, 114.09, 90
R / Rfree (%) 20.5 / 24.6

Iron Binding Sites:

The binding sites of Iron atom in the Lanosterol-Bound P450 Domain of the CYP51-Ferredoxin Fusion Protein From Methylococcus Capsulatus (pdb code 7snm). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Lanosterol-Bound P450 Domain of the CYP51-Ferredoxin Fusion Protein From Methylococcus Capsulatus, PDB code: 7snm:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 7snm

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Iron binding site 1 out of 4 in the Lanosterol-Bound P450 Domain of the CYP51-Ferredoxin Fusion Protein From Methylococcus Capsulatus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Lanosterol-Bound P450 Domain of the CYP51-Ferredoxin Fusion Protein From Methylococcus Capsulatus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:13.5
occ:1.00
 FE A:HEM601 0.0 13.5 1.0
ND A:HEM601 1.9 13.5 1.0
NA A:HEM601 2.0 13.3 1.0
NC A:HEM601 2.1 13.5 1.0
NB A:HEM601 2.1 13.3 1.0
SG A:CYS394 2.3 18.4 1.0
C1D A:HEM601 2.9 13.3 1.0
C4D A:HEM601 2.9 13.4 1.0
C1A A:HEM601 3.0 13.5 1.0
C4C A:HEM601 3.0 13.5 1.0
C4A A:HEM601 3.1 13.0 1.0
C1B A:HEM601 3.1 13.3 1.0
C4B A:HEM601 3.1 13.8 1.0
C1C A:HEM601 3.1 14.0 1.0
CHA A:HEM601 3.3 13.6 1.0
CHD A:HEM601 3.4 13.2 1.0
CB A:CYS394 3.4 20.0 1.0
CHB A:HEM601 3.5 13.6 1.0
CHC A:HEM601 3.5 13.8 1.0
CA A:CYS394 4.1 19.3 1.0
C2D A:HEM601 4.1 13.5 1.0
C3D A:HEM601 4.1 13.3 1.0
C8 A:LAN602 4.2 12.4 1.0
C2A A:HEM601 4.2 13.0 1.0
C3A A:HEM601 4.2 12.8 1.0
C3C A:HEM601 4.3 13.7 1.0
C2B A:HEM601 4.3 13.5 1.0
C2C A:HEM601 4.3 13.7 1.0
C3B A:HEM601 4.3 14.3 1.0
CG2 A:THR261 4.9 17.7 1.0
C A:CYS394 4.9 21.1 1.0

Iron binding site 2 out of 4 in 7snm

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Iron binding site 2 out of 4 in the Lanosterol-Bound P450 Domain of the CYP51-Ferredoxin Fusion Protein From Methylococcus Capsulatus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Lanosterol-Bound P450 Domain of the CYP51-Ferredoxin Fusion Protein From Methylococcus Capsulatus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe601

b:15.2
occ:1.00
 FE B:HEM601 0.0 15.2 1.0
ND B:HEM601 1.9 16.0 1.0
NA B:HEM601 2.0 14.8 1.0
NC B:HEM601 2.1 14.9 1.0
NB B:HEM601 2.1 14.4 1.0
SG B:CYS394 2.3 20.0 1.0
C4D B:HEM601 2.9 15.4 1.0
C1D B:HEM601 2.9 16.9 1.0
C1A B:HEM601 3.0 14.6 1.0
C4A B:HEM601 3.0 14.4 1.0
C4C B:HEM601 3.1 15.8 1.0
C1B B:HEM601 3.1 13.9 1.0
C4B B:HEM601 3.1 14.7 1.0
C1C B:HEM601 3.1 15.6 1.0
CHA B:HEM601 3.3 14.9 1.0
CHD B:HEM601 3.4 16.9 1.0
CB B:CYS394 3.4 22.9 1.0
CHB B:HEM601 3.5 14.3 1.0
CHC B:HEM601 3.5 15.8 1.0
CA B:CYS394 4.1 22.4 1.0
C8 B:LAN602 4.1 14.6 1.0
C2D B:HEM601 4.1 16.8 1.0
C3D B:HEM601 4.1 16.1 1.0
C2A B:HEM601 4.2 13.8 1.0
C3A B:HEM601 4.2 13.5 1.0
C3C B:HEM601 4.3 16.7 1.0
C2B B:HEM601 4.3 14.4 1.0
C2C B:HEM601 4.3 15.5 1.0
C3B B:HEM601 4.4 14.2 1.0
CG2 B:THR261 4.9 14.0 1.0
C B:CYS394 5.0 23.1 1.0

Iron binding site 3 out of 4 in 7snm

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Iron binding site 3 out of 4 in the Lanosterol-Bound P450 Domain of the CYP51-Ferredoxin Fusion Protein From Methylococcus Capsulatus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Lanosterol-Bound P450 Domain of the CYP51-Ferredoxin Fusion Protein From Methylococcus Capsulatus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe601

b:35.3
occ:1.00
 FE C:HEM601 0.0 35.3 1.0
ND C:HEM601 1.9 36.0 1.0
NA C:HEM601 2.0 32.6 1.0
NC C:HEM601 2.1 36.2 1.0
NB C:HEM601 2.1 34.3 1.0
SG C:CYS394 2.3 41.2 1.0
C4D C:HEM601 2.9 34.8 1.0
C1D C:HEM601 2.9 33.3 1.0
C1A C:HEM601 3.0 34.1 1.0
C4A C:HEM601 3.1 30.1 1.0
C4C C:HEM601 3.1 34.3 1.0
C1B C:HEM601 3.1 34.7 1.0
C4B C:HEM601 3.1 37.7 1.0
C1C C:HEM601 3.1 38.8 1.0
CHA C:HEM601 3.3 35.5 1.0
CHD C:HEM601 3.4 30.0 1.0
CB C:CYS394 3.4 42.0 1.0
CHB C:HEM601 3.5 30.5 1.0
CHC C:HEM601 3.5 38.3 1.0
CA C:CYS394 4.1 39.7 1.0
C3D C:HEM601 4.1 34.2 1.0
C2D C:HEM601 4.1 34.6 1.0
C2A C:HEM601 4.2 29.9 1.0
C3A C:HEM601 4.2 31.0 1.0
C8 C:LAN602 4.2 26.2 1.0
C3C C:HEM601 4.3 37.4 1.0
C2C C:HEM601 4.3 40.5 1.0
C2B C:HEM601 4.3 39.0 1.0
C3B C:HEM601 4.3 41.0 1.0
CG2 C:THR261 4.9 29.1 1.0
C C:CYS394 5.0 40.9 1.0

Iron binding site 4 out of 4 in 7snm

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Iron binding site 4 out of 4 in the Lanosterol-Bound P450 Domain of the CYP51-Ferredoxin Fusion Protein From Methylococcus Capsulatus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Lanosterol-Bound P450 Domain of the CYP51-Ferredoxin Fusion Protein From Methylococcus Capsulatus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe601

b:42.1
occ:1.00
 FE D:HEM601 0.0 42.1 1.0
ND D:HEM601 1.9 42.8 1.0
NA D:HEM601 2.0 38.9 1.0
NC D:HEM601 2.1 41.0 1.0
NB D:HEM601 2.1 40.2 1.0
SG D:CYS394 2.4 51.0 1.0
C4D D:HEM601 2.9 41.6 1.0
C1D D:HEM601 2.9 40.6 1.0
C1A D:HEM601 3.0 39.3 1.0
C4C D:HEM601 3.0 43.0 1.0
C4A D:HEM601 3.0 36.6 1.0
C1B D:HEM601 3.1 38.4 1.0
C4B D:HEM601 3.1 43.1 1.0
C1C D:HEM601 3.1 43.3 1.0
CHA D:HEM601 3.3 38.8 1.0
CHD D:HEM601 3.4 38.6 1.0
CHB D:HEM601 3.5 35.8 1.0
CHC D:HEM601 3.5 42.6 1.0
CB D:CYS394 3.5 50.4 1.0
C2D D:HEM601 4.1 38.1 1.0
CA D:CYS394 4.1 52.8 1.0
C8 D:LAN602 4.1 37.5 1.0
C3D D:HEM601 4.1 41.9 1.0
C2A D:HEM601 4.2 34.0 1.0
C3A D:HEM601 4.2 35.4 1.0
C3C D:HEM601 4.3 48.8 1.0
C2C D:HEM601 4.3 46.8 1.0
C2B D:HEM601 4.3 45.1 1.0
C3B D:HEM601 4.3 46.1 1.0
C D:CYS394 5.0 65.6 1.0

Reference:

T.Y.Hargrove, D.C.Lamb, J.A.Smith, Z.Wawrzak, S.L.Kelly, G.I.Lepesheva. Unravelling the Role of Transient Redox Partner Complexes in P450 Electron Transfer Mechanics. Sci Rep V. 12 16232 2022.
ISSN: ESSN 2045-2322
PubMed: 36171457
DOI: 10.1038/S41598-022-20671-0
Page generated: Fri Aug 9 00:55:00 2024

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