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Iron in PDB 6hqd: Cytochrome P450-153 From Pseudomonas Sp. 19-Rlim

Protein crystallography data

The structure of Cytochrome P450-153 From Pseudomonas Sp. 19-Rlim, PDB code: 6hqd was solved by F.Fiorentini, A.Mattevi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.00 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 87.311, 96.642, 87.777, 90.00, 119.18, 90.00
R / Rfree (%) 17 / 20

Iron Binding Sites:

The binding sites of Iron atom in the Cytochrome P450-153 From Pseudomonas Sp. 19-Rlim (pdb code 6hqd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Cytochrome P450-153 From Pseudomonas Sp. 19-Rlim, PDB code: 6hqd:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 6hqd

Go back to Iron Binding Sites List in 6hqd
Iron binding site 1 out of 3 in the Cytochrome P450-153 From Pseudomonas Sp. 19-Rlim


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450-153 From Pseudomonas Sp. 19-Rlim within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:18.2
occ:1.00
FE A:HEM501 0.0 18.2 1.0
O A:HOH613 1.9 25.3 1.0
ND A:HEM501 2.0 17.4 1.0
NA A:HEM501 2.0 16.7 1.0
NC A:HEM501 2.1 19.1 1.0
NB A:HEM501 2.1 17.9 1.0
SG A:CYS370 2.3 20.7 1.0
C4D A:HEM501 3.0 17.8 1.0
C1D A:HEM501 3.0 17.9 1.0
C1A A:HEM501 3.0 16.8 1.0
C4C A:HEM501 3.0 19.7 1.0
C4B A:HEM501 3.0 18.8 1.0
C4A A:HEM501 3.1 16.5 1.0
C1B A:HEM501 3.1 16.7 1.0
C1C A:HEM501 3.1 20.0 1.0
CHA A:HEM501 3.4 17.8 1.0
CHD A:HEM501 3.4 18.2 1.0
CB A:CYS370 3.4 21.3 1.0
CHC A:HEM501 3.5 18.8 1.0
CHB A:HEM501 3.5 16.1 1.0
CA A:CYS370 4.0 20.9 1.0
O A:GLY259 4.2 28.2 1.0
C3C A:HEM501 4.3 21.7 1.0
C2C A:HEM501 4.3 20.6 1.0
C2A A:HEM501 4.3 15.8 1.0
C3A A:HEM501 4.3 17.2 1.0
C2B A:HEM501 4.3 18.4 1.0
C3B A:HEM501 4.3 17.5 1.0
C2D A:HEM501 4.3 18.0 1.0
C3D A:HEM501 4.3 16.6 1.0
N A:LEU371 4.6 18.8 1.0
C A:CYS370 4.7 19.8 1.0
C6 A:PGE503 4.7 37.1 1.0
N A:GLY372 4.7 18.9 1.0
C A:GLY259 5.0 26.6 1.0

Iron binding site 2 out of 3 in 6hqd

Go back to Iron Binding Sites List in 6hqd
Iron binding site 2 out of 3 in the Cytochrome P450-153 From Pseudomonas Sp. 19-Rlim


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome P450-153 From Pseudomonas Sp. 19-Rlim within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:17.2
occ:1.00
FE B:HEM501 0.0 17.2 1.0
ND B:HEM501 1.9 18.0 1.0
NA B:HEM501 2.0 16.3 1.0
NC B:HEM501 2.1 16.9 1.0
NB B:HEM501 2.1 17.9 1.0
O B:HOH686 2.2 28.5 1.0
SG B:CYS370 2.4 20.1 1.0
C1D B:HEM501 3.0 18.2 1.0
C4D B:HEM501 3.0 17.2 1.0
C4B B:HEM501 3.0 17.9 1.0
C4C B:HEM501 3.0 19.6 1.0
C1A B:HEM501 3.0 16.5 1.0
C4A B:HEM501 3.1 16.9 1.0
C1B B:HEM501 3.1 18.0 1.0
C1C B:HEM501 3.1 18.6 1.0
CHD B:HEM501 3.4 18.0 1.0
CHA B:HEM501 3.4 16.7 1.0
CB B:CYS370 3.4 16.5 1.0
CHC B:HEM501 3.4 18.6 1.0
CHB B:HEM501 3.5 16.5 1.0
CA B:CYS370 4.0 16.6 1.0
C3C B:HEM501 4.2 20.1 1.0
C2D B:HEM501 4.3 17.0 1.0
C3D B:HEM501 4.3 16.3 1.0
C3A B:HEM501 4.3 17.2 1.0
C2A B:HEM501 4.3 16.0 1.0
C3B B:HEM501 4.3 17.8 1.0
C2B B:HEM501 4.3 17.6 1.0
C2C B:HEM501 4.3 18.4 1.0
C6 B:PGE503 4.4 40.0 1.0
O B:GLY259 4.4 25.8 1.0
N B:LEU371 4.6 17.7 1.0
N B:GLY372 4.7 17.4 1.0
C B:CYS370 4.7 16.8 1.0
O4 B:PGE503 5.0 41.9 1.0

Iron binding site 3 out of 3 in 6hqd

Go back to Iron Binding Sites List in 6hqd
Iron binding site 3 out of 3 in the Cytochrome P450-153 From Pseudomonas Sp. 19-Rlim


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cytochrome P450-153 From Pseudomonas Sp. 19-Rlim within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe501

b:17.6
occ:1.00
FE C:HEM501 0.0 17.6 1.0
ND C:HEM501 2.0 16.5 1.0
NA C:HEM501 2.0 15.5 1.0
NC C:HEM501 2.1 16.7 1.0
NB C:HEM501 2.1 17.8 1.0
SG C:CYS370 2.3 19.9 1.0
O C:HOH700 2.4 32.1 1.0
C1D C:HEM501 3.0 16.3 1.0
C4B C:HEM501 3.0 17.4 1.0
C4D C:HEM501 3.0 15.2 1.0
C1A C:HEM501 3.1 16.1 1.0
C4C C:HEM501 3.1 17.9 1.0
C1C C:HEM501 3.1 17.9 1.0
C4A C:HEM501 3.1 16.8 1.0
C1B C:HEM501 3.1 17.8 1.0
CB C:CYS370 3.4 18.8 1.0
CHC C:HEM501 3.4 19.5 1.0
CHD C:HEM501 3.4 17.1 1.0
CHA C:HEM501 3.5 15.3 1.0
CHB C:HEM501 3.5 18.0 1.0
CA C:CYS370 4.0 17.4 1.0
C2D C:HEM501 4.3 15.8 1.0
C3A C:HEM501 4.3 15.2 1.0
C3B C:HEM501 4.3 18.9 1.0
C3D C:HEM501 4.3 14.9 1.0
C2B C:HEM501 4.3 17.3 1.0
C3C C:HEM501 4.3 19.1 1.0
C2A C:HEM501 4.3 15.7 1.0
C2C C:HEM501 4.3 17.9 1.0
N C:GLY372 4.7 19.1 1.0
N C:LEU371 4.7 18.6 1.0
C C:CYS370 4.7 18.0 1.0
O C:GLY259 4.7 28.2 1.0
OG1 C:THR263 5.0 26.9 1.0
O1 C:PGE504 5.0 44.5 1.0

Reference:

F.Fiorentini, A.M.Hatzl, S.Schmidt, S.Savino, A.Glieder, A.Mattevi. The Extreme Structural Plasticity in the CYP153 Subfamily of P450S Directs Development of Designer Hydroxylases. Biochemistry V. 57 6701 2018.
ISSN: ISSN 0006-2960
PubMed: 30398864
DOI: 10.1021/ACS.BIOCHEM.8B01052
Page generated: Sun Dec 13 16:28:50 2020

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