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Iron in PDB 6we6: Camphor Bound P450CAM D251E Structure

Enzymatic activity of Camphor Bound P450CAM D251E Structure

All present enzymatic activity of Camphor Bound P450CAM D251E Structure:
1.14.15.1;

Protein crystallography data

The structure of Camphor Bound P450CAM D251E Structure, PDB code: 6we6 was solved by J.A.Amaya, T.L.Poulos, D.Batabyal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.36 / 2.16
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.657, 62.204, 224.184, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 25.6

Other elements in 6we6:

The structure of Camphor Bound P450CAM D251E Structure also contains other interesting chemical elements:

Potassium (K) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Camphor Bound P450CAM D251E Structure (pdb code 6we6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Camphor Bound P450CAM D251E Structure, PDB code: 6we6:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 6we6

Go back to Iron Binding Sites List in 6we6
Iron binding site 1 out of 2 in the Camphor Bound P450CAM D251E Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Camphor Bound P450CAM D251E Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:20.6
occ:1.00
FE A:HEM501 0.0 20.6 1.0
NA A:HEM501 2.0 16.3 1.0
NC A:HEM501 2.1 21.9 1.0
NB A:HEM501 2.1 19.7 1.0
ND A:HEM501 2.1 18.2 1.0
SG A:CYS357 2.5 24.1 1.0
C4A A:HEM501 3.1 19.7 1.0
C1C A:HEM501 3.1 20.5 1.0
C1D A:HEM501 3.1 17.5 1.0
C1A A:HEM501 3.1 15.3 1.0
C4B A:HEM501 3.1 23.2 1.0
C4D A:HEM501 3.1 16.2 1.0
C4C A:HEM501 3.1 24.0 1.0
C1B A:HEM501 3.1 19.6 1.0
CB A:CYS357 3.4 22.5 1.0
CHC A:HEM501 3.4 22.1 1.0
CHB A:HEM501 3.4 19.4 1.0
CHD A:HEM501 3.5 18.6 1.0
CHA A:HEM501 3.5 18.3 1.0
CA A:CYS357 4.0 21.5 1.0
C2C A:HEM501 4.3 21.5 1.0
C3A A:HEM501 4.3 15.9 1.0
C2D A:HEM501 4.3 20.3 1.0
C3D A:HEM501 4.3 19.0 1.0
C3C A:HEM501 4.3 22.1 1.0
C2A A:HEM501 4.3 19.1 1.0
C3B A:HEM501 4.3 21.0 1.0
C2B A:HEM501 4.3 21.2 1.0
C5 A:CAM502 4.5 21.2 1.0
N A:LEU358 4.5 20.4 1.0
N A:GLY359 4.6 24.3 1.0
C A:CYS357 4.7 24.4 1.0
C4 A:CAM502 4.8 20.3 1.0
C9 A:CAM502 4.9 18.8 1.0

Iron binding site 2 out of 2 in 6we6

Go back to Iron Binding Sites List in 6we6
Iron binding site 2 out of 2 in the Camphor Bound P450CAM D251E Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Camphor Bound P450CAM D251E Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:27.1
occ:1.00
FE B:HEM501 0.0 27.1 1.0
NC B:HEM501 2.0 34.4 1.0
NB B:HEM501 2.1 25.8 1.0
ND B:HEM501 2.1 26.6 1.0
NA B:HEM501 2.1 27.3 1.0
SG B:CYS357 2.5 24.2 1.0
C4B B:HEM501 3.0 28.1 1.0
C1C B:HEM501 3.1 32.9 1.0
C4C B:HEM501 3.1 34.4 1.0
C1B B:HEM501 3.1 27.9 1.0
C1D B:HEM501 3.1 26.6 1.0
C4D B:HEM501 3.1 25.3 1.0
C4A B:HEM501 3.1 26.5 1.0
C1A B:HEM501 3.1 25.7 1.0
CHC B:HEM501 3.4 31.2 1.0
CB B:CYS357 3.4 28.1 1.0
CHD B:HEM501 3.4 30.9 1.0
CHA B:HEM501 3.5 27.6 1.0
CHB B:HEM501 3.5 26.2 1.0
CA B:CYS357 4.1 26.5 1.0
C5 B:CAM502 4.1 26.8 1.0
C3B B:HEM501 4.3 32.6 1.0
C2C B:HEM501 4.3 35.0 1.0
C3C B:HEM501 4.3 29.6 1.0
C2B B:HEM501 4.3 27.9 1.0
C2D B:HEM501 4.3 33.6 1.0
C3D B:HEM501 4.3 30.6 1.0
C3A B:HEM501 4.4 24.1 1.0
C2A B:HEM501 4.4 27.8 1.0
N B:GLY359 4.7 31.7 1.0
C4 B:CAM502 4.7 27.5 1.0
N B:LEU358 4.7 29.8 1.0
CG2 B:THR252 4.8 34.5 1.0
C B:CYS357 4.8 29.0 1.0
C9 B:CAM502 4.9 24.3 1.0

Reference:

J.A.Amaya, D.Batabyal, T.L.Poulos. Proton Relay Network in the Bacterial P450S: CYP101A1 and CYP101D1. Biochemistry V. 59 2896 2020.
ISSN: ISSN 0006-2960
PubMed: 32574066
DOI: 10.1021/ACS.BIOCHEM.0C00329
Page generated: Wed Aug 7 13:57:34 2024

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