Atomistry » Iron » PDB 4jo0-4k5d » 4jwu
Atomistry »
  Iron »
    PDB 4jo0-4k5d »
      4jwu »

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

Go back to Iron Binding Sites List in 4jwu
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

Go back to Iron Binding Sites List in 4jwu
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

Go back to Iron Binding Sites List in 4jwu
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: Mon Aug 5 04:52:53 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy