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Iron in PDB 4jws: Crystal Structure of Cytochrome P450CAM-Putidaredoxin Complex

Enzymatic activity of Crystal Structure of Cytochrome P450CAM-Putidaredoxin Complex

All present enzymatic activity of Crystal Structure of Cytochrome P450CAM-Putidaredoxin Complex:
1.14.15.1;

Protein crystallography data

The structure of Crystal Structure of Cytochrome P450CAM-Putidaredoxin Complex, PDB code: 4jws was solved by S.M.Tripathi, H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.80 / 2.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.590, 106.720, 88.700, 90.00, 107.91, 90.00
R / Rfree (%) 17.5 / 22.5

Other elements in 4jws:

The structure of Crystal Structure of Cytochrome P450CAM-Putidaredoxin Complex also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Iron Binding Sites:

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

Iron binding site 1 out of 6 in 4jws

Go back to Iron Binding Sites List in 4jws
Iron binding site 1 out of 6 in the Crystal Structure of Cytochrome P450CAM-Putidaredoxin Complex


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 Cytochrome P450CAM-Putidaredoxin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:30.4
occ:1.00
 FE A:HEM501 0.0 30.4 1.0
NB A:HEM501 2.0 24.0 1.0
ND A:HEM501 2.1 34.5 1.0
NA A:HEM501 2.1 25.4 1.0
NC A:HEM501 2.1 30.6 1.0
SG A:CYS357 2.3 27.4 1.0
O A:HOH701 2.4 48.0 1.0
C4B A:HEM501 3.0 30.1 1.0
C4D A:HEM501 3.1 36.9 1.0
C1A A:HEM501 3.1 27.2 1.0
C1C A:HEM501 3.1 25.8 1.0
C1D A:HEM501 3.1 31.4 1.0
C1B A:HEM501 3.1 27.8 1.0
C4C A:HEM501 3.1 29.4 1.0
C4A A:HEM501 3.1 23.4 1.0
CB A:CYS357 3.4 25.4 1.0
CHA A:HEM501 3.4 22.4 1.0
CHC A:HEM501 3.4 33.0 1.0
CHD A:HEM501 3.5 31.6 1.0
CHB A:HEM501 3.5 26.1 1.0
CA A:CYS357 4.1 26.6 1.0
C3B A:HEM501 4.3 28.3 1.0
C2C A:HEM501 4.3 39.9 1.0
C2B A:HEM501 4.3 25.0 1.0
C2A A:HEM501 4.3 28.1 1.0
C2D A:HEM501 4.3 34.3 1.0
C3D A:HEM501 4.3 40.5 1.0
C3C A:HEM501 4.3 35.0 1.0
C3A A:HEM501 4.3 22.4 1.0
O A:GLY248 4.4 61.1 1.0
O A:HOH698 4.5 52.1 1.0
N A:GLY359 4.8 29.3 1.0
OG1 A:THR252 4.8 41.7 1.0
C A:CYS357 4.9 29.4 1.0

Iron binding site 2 out of 6 in 4jws

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Iron binding site 2 out of 6 in the Crystal Structure of Cytochrome P450CAM-Putidaredoxin Complex


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 Cytochrome P450CAM-Putidaredoxin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:37.5
occ:1.00
 FE B:HEM501 0.0 37.5 1.0
NC B:HEM501 1.9 27.0 1.0
NA B:HEM501 2.1 33.0 1.0
NB B:HEM501 2.1 27.4 1.0
ND B:HEM501 2.1 35.0 1.0
SG B:CYS357 2.4 37.0 1.0
O B:HOH644 3.0 53.4 1.0
C4C B:HEM501 3.0 36.2 1.0
C1C B:HEM501 3.0 37.3 1.0
C4B B:HEM501 3.1 25.1 1.0
C1D B:HEM501 3.1 32.9 1.0
C1A B:HEM501 3.1 33.6 1.0
C4D B:HEM501 3.1 26.9 1.0
C4A B:HEM501 3.1 38.2 1.0
C1B B:HEM501 3.1 32.3 1.0
CB B:CYS357 3.2 34.1 1.0
CHD B:HEM501 3.4 33.1 1.0
CHC B:HEM501 3.4 39.8 1.0
CHA B:HEM501 3.4 35.4 1.0
CHB B:HEM501 3.6 30.1 1.0
CA B:CYS357 4.1 37.6 1.0
C3C B:HEM501 4.1 31.6 1.0
C2C B:HEM501 4.2 33.7 1.0
C3B B:HEM501 4.3 29.1 1.0
C2A B:HEM501 4.3 32.0 1.0
C2D B:HEM501 4.3 33.2 1.0
C3A B:HEM501 4.3 29.1 1.0
C2B B:HEM501 4.3 26.4 1.0
C3D B:HEM501 4.4 35.6 1.0
O B:GLY248 4.7 59.9 1.0
C B:CYS357 4.9 43.1 1.0
N B:GLY359 4.9 38.3 1.0
OG1 B:THR252 5.0 54.4 1.0

Iron binding site 3 out of 6 in 4jws

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Iron binding site 3 out of 6 in the Crystal Structure of Cytochrome P450CAM-Putidaredoxin Complex


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 Cytochrome P450CAM-Putidaredoxin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:32.6
occ:1.00
 FE1 C:FES201 0.0 32.6 1.0
S1 C:FES201 2.2 32.8 1.0
S2 C:FES201 2.2 33.2 1.0
SG C:CYS45 2.3 32.0 1.0
SG C:CYS39 2.3 32.3 1.0
FE2 C:FES201 2.8 34.4 1.0
CB C:CYS39 3.4 29.2 1.0
CB C:CYS45 3.5 33.9 1.0
N C:CYS45 3.6 35.6 1.0
N C:CYS39 3.7 27.5 1.0
CA C:CYS45 4.0 26.2 1.0
CA C:CYS39 4.0 31.6 1.0
N C:SER44 4.0 30.4 1.0
N C:ALA46 4.1 33.1 1.0
N C:GLY41 4.2 34.1 1.0
N C:ALA43 4.5 38.6 1.0
N C:GLY40 4.5 33.0 1.0
SG C:CYS86 4.5 33.9 1.0
C C:CYS45 4.5 31.9 1.0
C C:CYS39 4.5 36.7 1.0
C C:SER44 4.5 35.1 1.0
CA C:GLY41 4.6 39.2 1.0
N C:SER42 4.6 36.8 1.0
SG C:CYS48 4.7 34.1 1.0
N C:THR47 4.7 33.4 1.0
CA C:ALA43 4.7 46.6 1.0
N C:ASP38 4.7 35.8 1.0
C C:GLY37 4.8 32.0 1.0
OG1 C:THR47 4.8 38.2 1.0
CA C:SER44 4.8 33.8 1.0
C C:ALA43 4.9 43.4 1.0
C C:ASP38 4.9 30.3 1.0
CA C:GLY37 4.9 32.9 1.0

Iron binding site 4 out of 6 in 4jws

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Iron binding site 4 out of 6 in the Crystal Structure of Cytochrome P450CAM-Putidaredoxin Complex


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 Cytochrome P450CAM-Putidaredoxin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:34.4
occ:1.00
 FE2 C:FES201 0.0 34.4 1.0
S1 C:FES201 2.2 32.8 1.0
S2 C:FES201 2.2 33.2 1.0
SG C:CYS86 2.3 33.9 1.0
SG C:CYS48 2.3 34.1 1.0
FE1 C:FES201 2.8 32.6 1.0
CB C:CYS86 3.1 35.3 1.0
CB C:CYS48 3.4 40.4 1.0
N C:CYS86 4.2 35.0 1.0
CA C:CYS86 4.2 40.1 1.0
CA C:GLY41 4.4 39.2 1.0
CB C:LEU84 4.4 34.3 1.0
N C:ALA43 4.5 38.6 1.0
N C:CYS48 4.5 34.5 1.0
CA C:CYS48 4.5 33.4 1.0
SG C:CYS39 4.5 32.3 1.0
SG C:CYS45 4.6 32.0 1.0
CA C:ALA43 4.7 46.6 1.0
N C:GLY41 4.7 34.1 1.0
CD1 C:LEU84 4.8 40.1 1.0
C C:GLY41 4.9 41.9 1.0
CG C:MET24 4.9 38.0 1.0
CG C:LEU84 5.0 41.1 1.0

Iron binding site 5 out of 6 in 4jws

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Iron binding site 5 out of 6 in the Crystal Structure of Cytochrome P450CAM-Putidaredoxin Complex


Mono view


Stereo pair view

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

b:41.4
occ:1.00
 FE1 D:FES201 0.0 41.4 1.0
S1 D:FES201 2.2 43.6 1.0
S2 D:FES201 2.2 44.0 1.0
SG D:CYS39 2.3 44.4 1.0
SG D:CYS45 2.3 49.1 1.0
FE2 D:FES201 2.9 42.6 1.0
CB D:CYS39 3.3 38.9 1.0
CB D:CYS45 3.3 43.6 1.0
N D:CYS45 3.4 41.2 1.0
N D:CYS39 3.6 46.1 1.0
CA D:CYS45 3.8 49.7 1.0
CA D:CYS39 3.9 45.4 1.0
N D:SER44 4.0 43.4 1.0
N D:ALA46 4.0 42.6 1.0
N D:GLY41 4.2 50.6 1.0
C D:CYS45 4.4 43.5 1.0
N D:ALA43 4.4 53.5 1.0
C D:SER44 4.4 54.4 1.0
N D:GLY40 4.4 47.5 1.0
C D:CYS39 4.5 48.3 1.0
N D:ASP38 4.6 41.9 1.0
SG D:CYS86 4.6 50.1 1.0
CA D:GLY41 4.6 51.5 1.0
CA D:ALA43 4.6 52.0 1.0
C D:GLY37 4.6 41.6 1.0
N D:SER42 4.7 59.1 1.0
N D:THR47 4.7 41.5 1.0
C D:ASP38 4.8 41.2 1.0
SG D:CYS48 4.8 52.9 1.0
CA D:SER44 4.8 49.5 1.0
C D:ALA43 4.8 54.2 1.0
CA D:GLY37 4.8 41.0 1.0
OG1 D:THR47 4.9 39.4 1.0

Iron binding site 6 out of 6 in 4jws

Go back to Iron Binding Sites List in 4jws
Iron binding site 6 out of 6 in the Crystal Structure of Cytochrome P450CAM-Putidaredoxin Complex


Mono view


Stereo pair view

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

b:42.6
occ:1.00
 FE2 D:FES201 0.0 42.6 1.0
S2 D:FES201 2.2 44.0 1.0
S1 D:FES201 2.2 43.6 1.0
SG D:CYS86 2.3 50.1 1.0
SG D:CYS48 2.3 52.9 1.0
FE1 D:FES201 2.9 41.4 1.0
CB D:CYS86 3.1 45.5 1.0
CB D:CYS48 3.4 41.4 1.0
N D:CYS86 4.2 48.1 1.0
CA D:CYS86 4.2 45.7 1.0
CA D:GLY41 4.4 51.5 1.0
N D:ALA43 4.4 53.5 1.0
CB D:LEU84 4.4 53.9 1.0
SG D:CYS39 4.5 44.4 1.0
CA D:ALA43 4.5 52.0 1.0
N D:CYS48 4.5 47.3 1.0
CA D:CYS48 4.5 43.5 1.0
SG D:CYS45 4.5 49.1 1.0
CD1 D:LEU84 4.8 47.0 1.0
N D:GLY41 4.8 50.6 1.0
C D:GLY41 4.9 56.9 1.0
CD2 D:LEU84 4.9 57.1 1.0
CG D:LEU84 5.0 56.3 1.0
CG D:MET24 5.0 55.0 1.0
N D:ALA46 5.0 42.6 1.0

Reference:

S.Tripathi, H.Li, T.L.Poulos. Structural Basis For Effector Control and Redox Partner Recognition in Cytochrome P450. Science V. 340 1227 2013.
ISSN: ISSN 0036-8075
PubMed: 23744947
DOI: 10.1126/SCIENCE.1235797
Page generated: Mon Aug 5 04:52:51 2024

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