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Iron in PDB 6nbl: Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide

Enzymatic activity of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide

All present enzymatic activity of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide:
1.14.15.1;

Protein crystallography data

The structure of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide, PDB code: 6nbl was solved by A.H.Follmer, S.M.Tripathi, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.60 / 2.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.360, 110.300, 88.620, 90.00, 107.67, 90.00
R / Rfree (%) 19.5 / 25.4

Other elements in 6nbl:

The structure of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide (pdb code 6nbl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide, PDB code: 6nbl:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 6nbl

Go back to Iron Binding Sites List in 6nbl
Iron binding site 1 out of 6 in the Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:17.5
occ:1.00
 FE A:HEM501 0.0 17.5 1.0
C A:CYN502 2.0 18.7 1.0
NB A:HEM501 2.0 19.9 1.0
NA A:HEM501 2.1 18.6 1.0
ND A:HEM501 2.1 23.2 1.0
NC A:HEM501 2.1 23.4 1.0
SG A:CYS357 2.3 21.2 1.0
C4B A:HEM501 3.0 19.3 1.0
C1C A:HEM501 3.1 22.9 1.0
C1B A:HEM501 3.1 18.4 1.0
C4D A:HEM501 3.1 31.0 1.0
N A:CYN502 3.1 24.9 1.0
C1A A:HEM501 3.1 28.2 1.0
C1D A:HEM501 3.1 22.8 1.0
C4A A:HEM501 3.1 20.5 1.0
C4C A:HEM501 3.2 19.3 1.0
CB A:CYS357 3.4 19.3 1.0
CHC A:HEM501 3.4 21.3 1.0
CHA A:HEM501 3.5 21.5 1.0
CHB A:HEM501 3.5 17.5 1.0
CHD A:HEM501 3.5 18.9 1.0
CA A:CYS357 4.2 19.5 1.0
C3B A:HEM501 4.3 22.6 1.0
C2B A:HEM501 4.3 24.1 1.0
C2C A:HEM501 4.3 32.0 1.0
C3D A:HEM501 4.3 24.4 1.0
C2D A:HEM501 4.3 31.1 1.0
C2A A:HEM501 4.3 20.6 1.0
C3A A:HEM501 4.3 15.5 1.0
C3C A:HEM501 4.3 25.7 1.0
OG1 A:THR252 4.8 28.2 1.0
N A:GLY359 5.0 22.9 1.0

Iron binding site 2 out of 6 in 6nbl

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Iron binding site 2 out of 6 in the Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:24.0
occ:1.00
 FE B:HEM501 0.0 24.0 1.0
C B:CYN502 2.0 34.4 1.0
NC B:HEM501 2.1 23.4 1.0
NA B:HEM501 2.1 25.1 1.0
ND B:HEM501 2.1 32.1 1.0
NB B:HEM501 2.1 21.9 1.0
SG B:CYS357 2.3 27.3 1.0
C1C B:HEM501 3.1 35.0 1.0
N B:CYN502 3.1 36.9 1.0
C4C B:HEM501 3.1 33.4 1.0
C4A B:HEM501 3.1 33.2 1.0
C1D B:HEM501 3.1 30.0 1.0
C4D B:HEM501 3.1 30.1 1.0
C4B B:HEM501 3.1 24.5 1.0
C1A B:HEM501 3.1 32.3 1.0
C1B B:HEM501 3.1 26.7 1.0
CB B:CYS357 3.4 27.6 1.0
CHC B:HEM501 3.4 25.3 1.0
CHD B:HEM501 3.5 29.6 1.0
CHA B:HEM501 3.5 30.1 1.0
CHB B:HEM501 3.5 24.0 1.0
C2C B:HEM501 4.3 25.8 1.0
CA B:CYS357 4.3 28.4 1.0
C3C B:HEM501 4.3 25.9 1.0
C3A B:HEM501 4.3 25.1 1.0
C3D B:HEM501 4.3 32.1 1.0
C2D B:HEM501 4.3 28.5 1.0
C2A B:HEM501 4.3 29.2 1.0
C2B B:HEM501 4.3 26.5 1.0
C3B B:HEM501 4.3 21.0 1.0
OG1 B:THR252 4.8 39.8 1.0

Iron binding site 3 out of 6 in 6nbl

Go back to Iron Binding Sites List in 6nbl
Iron binding site 3 out of 6 in the Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:24.1
occ:1.00
 FE1 C:FES201 0.0 24.1 1.0
S2 C:FES201 2.2 24.8 1.0
S1 C:FES201 2.2 30.2 1.0
SG C:CYS45 2.3 23.8 1.0
SG C:CYS39 2.3 25.6 1.0
FE2 C:FES201 3.0 29.4 1.0
CB C:CYS39 3.3 21.6 1.0
CB C:CYS45 3.5 21.9 1.0
N C:CYS39 3.6 19.1 1.0
N C:CYS45 3.7 26.5 1.0
CA C:CYS39 3.9 24.1 1.0
CA C:CYS45 4.1 24.8 1.0
N C:SER44 4.1 31.1 1.0
N C:GLY41 4.1 30.1 1.0
N C:ALA46 4.2 24.5 1.0
C C:CYS39 4.4 25.5 1.0
N C:GLY40 4.4 23.3 1.0
C C:CYS45 4.5 32.5 1.0
C C:SER44 4.5 31.3 1.0
N C:ASP38 4.5 22.9 1.0
CA C:GLY41 4.5 29.5 1.0
SG C:CYS86 4.6 29.3 1.0
N C:ALA43 4.6 30.0 1.0
OG1 C:THR47 4.6 20.2 1.0
N C:SER42 4.6 26.5 1.0
C C:GLY37 4.6 25.1 1.0
N C:THR47 4.7 28.7 1.0
CA C:SER44 4.8 30.9 1.0
CA C:GLY37 4.8 27.6 1.0
C C:ASP38 4.8 22.0 1.0
SG C:CYS48 4.9 24.1 1.0
CA C:ALA43 4.9 32.1 1.0

Iron binding site 4 out of 6 in 6nbl

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Iron binding site 4 out of 6 in the Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:29.4
occ:1.00
 FE2 C:FES201 0.0 29.4 1.0
S1 C:FES201 2.2 30.2 1.0
S2 C:FES201 2.2 24.8 1.0
SG C:CYS86 2.3 29.3 1.0
SG C:CYS48 2.3 24.1 1.0
FE1 C:FES201 3.0 24.1 1.0
CB C:CYS86 3.2 27.1 1.0
CB C:CYS48 3.3 18.4 1.0
N C:CYS86 4.1 34.5 1.0
CA C:CYS86 4.3 31.9 1.0
CB C:LEU84 4.3 33.9 1.0
CA C:GLY41 4.4 29.5 1.0
N C:CYS48 4.4 23.6 1.0
CA C:CYS48 4.5 31.2 1.0
SG C:CYS45 4.6 23.8 1.0
N C:ALA43 4.7 30.0 1.0
CD1 C:LEU84 4.7 30.6 1.0
SG C:CYS39 4.7 25.6 1.0
CD2 C:LEU84 4.8 34.9 1.0
N C:GLY41 4.8 30.1 1.0
CG C:LEU84 4.8 35.9 1.0
C C:GLY41 4.9 29.8 1.0
CA C:ALA43 4.9 32.1 1.0
CG C:MET24 4.9 23.9 1.0
CA C:LEU84 5.0 35.1 1.0

Iron binding site 5 out of 6 in 6nbl

Go back to Iron Binding Sites List in 6nbl
Iron binding site 5 out of 6 in the Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:24.2
occ:1.00
 FE1 D:FES201 0.0 24.2 1.0
S1 D:FES201 2.2 30.2 1.0
S2 D:FES201 2.2 24.1 1.0
SG D:CYS39 2.3 22.8 1.0
SG D:CYS45 2.3 27.6 1.0
FE2 D:FES201 3.0 23.0 1.0
CB D:CYS39 3.2 22.2 1.0
N D:CYS45 3.5 28.5 1.0
CB D:CYS45 3.5 25.7 1.0
N D:CYS39 3.6 25.3 1.0
CA D:CYS39 3.9 22.2 1.0
N D:SER44 4.0 29.7 1.0
CA D:CYS45 4.0 26.4 1.0
N D:ALA46 4.1 28.6 1.0
N D:GLY41 4.2 30.3 1.0
C D:CYS39 4.3 28.6 1.0
N D:GLY40 4.4 25.6 1.0
C D:SER44 4.5 30.9 1.0
N D:ALA43 4.5 30.3 1.0
C D:CYS45 4.5 25.3 1.0
N D:ASP38 4.5 26.6 1.0
OG1 D:THR47 4.6 21.6 1.0
C D:GLY37 4.6 26.8 1.0
SG D:CYS86 4.7 25.4 1.0
N D:SER42 4.7 27.3 1.0
CA D:SER44 4.7 28.4 1.0
CA D:GLY41 4.7 23.4 1.0
N D:THR47 4.8 25.6 1.0
CA D:ALA43 4.8 26.1 1.0
SG D:CYS48 4.8 23.9 1.0
C D:ASP38 4.8 24.1 1.0
CA D:GLY37 4.8 29.5 1.0
C D:ALA43 4.9 29.3 1.0

Iron binding site 6 out of 6 in 6nbl

Go back to Iron Binding Sites List in 6nbl
Iron binding site 6 out of 6 in the Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:23.0
occ:1.00
 FE2 D:FES201 0.0 23.0 1.0
S2 D:FES201 2.2 24.1 1.0
S1 D:FES201 2.2 30.2 1.0
SG D:CYS48 2.3 23.9 1.0
SG D:CYS86 2.3 25.4 1.0
FE1 D:FES201 3.0 24.2 1.0
CB D:CYS86 3.0 28.1 1.0
CB D:CYS48 3.4 19.8 1.0
N D:CYS86 4.1 25.3 1.0
CA D:CYS86 4.2 24.4 1.0
CB D:LEU84 4.3 21.8 1.0
CA D:GLY41 4.5 23.4 1.0
N D:CYS48 4.5 22.0 1.0
N D:ALA43 4.5 30.3 1.0
CA D:CYS48 4.5 26.3 1.0
CA D:ALA43 4.6 26.1 1.0
SG D:CYS39 4.7 22.8 1.0
SG D:CYS45 4.7 27.6 1.0
N D:GLY41 4.8 30.3 1.0
CD1 D:LEU84 4.9 28.2 1.0
CD2 D:LEU84 4.9 22.6 1.0
CG D:LEU84 4.9 21.0 1.0
C D:GLY41 4.9 31.2 1.0
CG D:MET24 5.0 22.6 1.0
CA D:LEU84 5.0 23.1 1.0

Reference:

A.H.Follmer, S.Tripathi, T.L.Poulos. Ligand and Redox Partner Binding Generates A New Conformational State in Cytochrome P450CAM (CYP101A1). J. Am. Chem. Soc. V. 141 2678 2019.
ISSN: ESSN 1520-5126
PubMed: 30672701
DOI: 10.1021/JACS.8B13079
Page generated: Sun Dec 13 16:45:03 2020

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