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Iron in PDB 4jwu: 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: 4jwu 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) 39.01 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.680, 110.050, 86.500, 90.00, 109.51, 90.00
R / Rfree (%) 20.5 / 26.6

Other elements in 4jwu:

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 4jwu). 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: 4jwu:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 4jwu

Go back to Iron Binding Sites List in 4jwu
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:30.3
occ:1.00
FE A:HEM501 0.0 30.3 1.0
NA A:HEM501 2.0 28.8 1.0
NC A:HEM501 2.1 24.5 1.0
ND A:HEM501 2.1 22.6 1.0
NB A:HEM501 2.1 35.1 1.0
SG A:CYS357 2.3 34.3 1.0
O A:HOH696 2.4 27.6 1.0
C4A A:HEM501 3.0 27.7 1.0
C1A A:HEM501 3.1 33.0 1.0
C4C A:HEM501 3.1 23.9 1.0
C1D A:HEM501 3.1 20.2 1.0
C1C A:HEM501 3.1 30.9 1.0
C1B A:HEM501 3.1 30.5 1.0
C4D A:HEM501 3.2 28.1 1.0
C4B A:HEM501 3.2 30.4 1.0
CB A:CYS357 3.4 33.5 1.0
CHB A:HEM501 3.4 31.1 1.0
CHD A:HEM501 3.4 18.1 1.0
CHA A:HEM501 3.5 32.0 1.0
CHC A:HEM501 3.5 23.6 1.0
O A:GLY248 4.1 33.1 1.0
CA A:CYS357 4.1 32.8 1.0
C3A A:HEM501 4.2 31.0 1.0
C2A A:HEM501 4.2 38.0 1.0
C2C A:HEM501 4.3 23.6 1.0
C3C A:HEM501 4.3 22.5 1.0
C2D A:HEM501 4.4 15.1 1.0
C2B A:HEM501 4.4 36.0 1.0
C3B A:HEM501 4.4 27.8 1.0
C3D A:HEM501 4.4 21.6 1.0
N A:GLY359 4.8 32.4 1.0
C A:CYS357 4.8 34.0 1.0
C A:GLY248 4.8 33.4 1.0
N A:LEU358 4.9 26.9 1.0
O A:HOH698 4.9 52.5 1.0

Iron binding site 2 out of 6 in 4jwu

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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:26.3
occ:1.00
FE B:HEM501 0.0 26.3 1.0
NA B:HEM501 2.0 38.7 1.0
ND B:HEM501 2.1 20.0 1.0
NC B:HEM501 2.1 22.2 1.0
NB B:HEM501 2.2 28.1 1.0
O B:HOH700 2.3 31.8 1.0
SG B:CYS357 2.3 31.2 1.0
C1A B:HEM501 3.0 37.0 1.0
C4A B:HEM501 3.0 31.2 1.0
C4D B:HEM501 3.0 21.1 1.0
C1B B:HEM501 3.0 28.6 1.0
C1D B:HEM501 3.1 19.9 1.0
C4C B:HEM501 3.1 32.0 1.0
C1C B:HEM501 3.2 28.3 1.0
C4B B:HEM501 3.3 29.5 1.0
CHA B:HEM501 3.3 25.6 1.0
CHB B:HEM501 3.4 22.5 1.0
CB B:CYS357 3.4 32.6 1.0
CHD B:HEM501 3.4 33.4 1.0
CHC B:HEM501 3.6 27.8 1.0
CA B:CYS357 4.1 33.0 1.0
C2A B:HEM501 4.2 42.3 1.0
C3A B:HEM501 4.2 33.0 1.0
O B:GLY248 4.2 29.9 1.0
C3D B:HEM501 4.3 19.4 1.0
C2D B:HEM501 4.3 20.4 1.0
C3C B:HEM501 4.3 33.1 1.0
C2B B:HEM501 4.3 27.3 1.0
C2C B:HEM501 4.4 31.1 1.0
C3B B:HEM501 4.5 25.2 1.0
N B:GLY359 4.5 29.2 1.0
C B:CYS357 4.7 32.0 1.0
N B:LEU358 4.7 31.2 1.0
CA B:GLY359 4.9 28.9 1.0
C B:GLY248 4.9 29.6 1.0

Iron binding site 3 out of 6 in 4jwu

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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:33.7
occ:1.00
FE1 C:FES201 0.0 33.7 1.0
S1 C:FES201 2.2 33.9 1.0
S2 C:FES201 2.2 30.6 1.0
SG C:CYS39 2.3 38.0 1.0
SG C:CYS45 2.4 34.7 1.0
FE2 C:FES201 2.8 35.0 1.0
CB C:CYS39 3.3 37.3 1.0
CB C:CYS45 3.5 34.2 1.0
N C:CYS45 3.6 33.0 1.0
N C:CYS39 3.7 38.0 1.0
N C:SER44 3.9 43.0 1.0
CA C:CYS39 4.0 37.5 1.0
CA C:CYS45 4.0 33.5 1.0
N C:ALA46 4.1 34.5 1.0
N C:GLY41 4.2 37.4 1.0
C C:SER44 4.4 40.8 1.0
C C:CYS39 4.5 37.7 1.0
N C:ALA43 4.5 46.2 1.0
N C:GLY40 4.5 34.4 1.0
C C:CYS45 4.5 34.2 1.0
SG C:CYS86 4.5 42.9 1.0
N C:SER42 4.6 42.8 1.0
SG C:CYS48 4.6 38.0 1.0
OG1 C:THR47 4.6 33.0 1.0
CA C:GLY41 4.7 38.1 1.0
N C:ASP38 4.7 35.3 1.0
CA C:SER44 4.7 40.6 1.0
CA C:ALA43 4.7 44.6 1.0
C C:GLY37 4.7 34.1 1.0
N C:THR47 4.8 31.2 1.0
C C:ALA43 4.8 42.5 1.0
C C:ASP38 4.8 33.9 1.0
CA C:GLY37 4.9 34.9 1.0

Iron binding site 4 out of 6 in 4jwu

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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:35.0
occ:1.00
FE2 C:FES201 0.0 35.0 1.0
S2 C:FES201 2.2 30.6 1.0
S1 C:FES201 2.2 33.9 1.0
SG C:CYS48 2.3 38.0 1.0
SG C:CYS86 2.3 42.9 1.0
FE1 C:FES201 2.8 33.7 1.0
CB C:CYS86 3.1 42.9 1.0
CB C:CYS48 3.5 39.6 1.0
N C:CYS86 4.2 45.3 1.0
CA C:CYS86 4.2 44.8 1.0
CB C:LEU84 4.3 41.9 1.0
CA C:GLY41 4.5 38.1 1.0
SG C:CYS39 4.5 38.0 1.0
N C:CYS48 4.6 38.1 1.0
N C:ALA43 4.6 46.2 1.0
CD1 C:LEU84 4.6 40.1 1.0
SG C:CYS45 4.6 34.7 1.0
CA C:CYS48 4.6 39.6 1.0
CA C:ALA43 4.7 44.6 1.0
N C:GLY41 4.8 37.4 1.0
CG C:LEU84 4.8 40.7 1.0
CG C:MET24 4.8 41.4 1.0
CD2 C:LEU84 4.9 40.3 1.0
C C:GLY41 4.9 39.3 1.0

Iron binding site 5 out of 6 in 4jwu

Go back to Iron Binding Sites List in 4jwu
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:35.8
occ:1.00
FE1 D:FES201 0.0 35.8 1.0
S2 D:FES201 2.2 40.7 1.0
S1 D:FES201 2.2 47.0 1.0
SG D:CYS39 2.3 36.1 1.0
SG D:CYS45 2.3 43.8 1.0
FE2 D:FES201 2.9 40.1 1.0
CB D:CYS39 3.4 32.1 1.0
CB D:CYS45 3.4 39.0 1.0
N D:CYS39 3.6 31.8 1.0
N D:CYS45 3.6 36.2 1.0
CA D:CYS39 3.9 31.1 1.0
CA D:CYS45 4.0 37.6 1.0
N D:SER44 4.0 45.8 1.0
N D:ALA46 4.1 39.8 1.0
N D:GLY41 4.2 41.4 1.0
C D:CYS39 4.4 32.7 1.0
N D:GLY40 4.4 34.4 1.0
C D:SER44 4.4 43.1 1.0
C D:CYS45 4.5 41.1 1.0
SG D:CYS48 4.5 47.9 1.0
N D:ALA43 4.5 43.4 1.0
OG1 D:THR47 4.5 36.5 1.0
N D:ASP38 4.6 38.1 1.0
C D:GLY37 4.6 36.6 1.0
CA D:GLY41 4.6 42.7 1.0
SG D:CYS86 4.7 53.2 1.0
N D:SER42 4.7 50.1 1.0
C D:ASP38 4.7 32.0 1.0
CA D:ALA43 4.7 44.0 1.0
CA D:SER44 4.8 42.3 1.0
N D:THR47 4.8 40.6 1.0
CA D:GLY37 4.9 39.8 1.0
C D:ALA43 4.9 41.2 1.0
O D:GLY37 5.0 35.9 1.0

Iron binding site 6 out of 6 in 4jwu

Go back to Iron Binding Sites List in 4jwu
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:40.1
occ:1.00
FE2 D:FES201 0.0 40.1 1.0
S1 D:FES201 2.2 47.0 1.0
SG D:CYS48 2.2 47.9 1.0
S2 D:FES201 2.2 40.7 1.0
SG D:CYS86 2.3 53.2 1.0
FE1 D:FES201 2.9 35.8 1.0
CB D:CYS86 3.1 56.8 1.0
CB D:CYS48 3.5 48.0 1.0
N D:CYS86 4.3 58.9 1.0
CA D:CYS86 4.3 57.9 1.0
CB D:LEU84 4.3 53.5 1.0
N D:ALA43 4.4 43.4 1.0
CA D:GLY41 4.4 42.7 1.0
SG D:CYS39 4.5 36.1 1.0
CA D:ALA43 4.6 44.0 1.0
CD1 D:LEU84 4.6 49.6 1.0
SG D:CYS45 4.6 43.8 1.0
N D:CYS48 4.6 46.3 1.0
CA D:CYS48 4.6 48.5 1.0
N D:GLY41 4.8 41.4 1.0
CG D:LEU84 4.9 52.1 1.0
CD2 D:LEU84 4.9 50.9 1.0
C D:GLY41 4.9 43.2 1.0
N D:ALA46 5.0 39.8 1.0
CG D:MET24 5.0 47.6 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: Sun Dec 13 15:38:53 2020

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