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Iron in PDB 1ps9: The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase

Enzymatic activity of The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase

All present enzymatic activity of The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase:
1.3.1.34;

Protein crystallography data

The structure of The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase, PDB code: 1ps9 was solved by P.A.Hubbard, X.Liang, H.Schulz, J.J.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.601, 109.227, 110.304, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 24.3

Other elements in 1ps9:

The structure of The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase (pdb code 1ps9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase, PDB code: 1ps9:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1ps9

Go back to Iron Binding Sites List in 1ps9
Iron binding site 1 out of 4 in the The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe700

b:19.7
occ:1.00
 FE1 A:SF4700 0.0 19.7 1.0
S4 A:SF4700 2.3 21.2 1.0
S3 A:SF4700 2.3 20.7 1.0
SG A:CYS334 2.3 18.4 1.0
S2 A:SF4700 2.3 22.0 1.0
FE2 A:SF4700 2.8 24.1 1.0
FE4 A:SF4700 2.8 20.1 1.0
FE3 A:SF4700 2.8 21.0 1.0
CB A:CYS334 3.3 19.4 1.0
CA A:CYS334 3.7 20.3 1.0
N A:GLY336 3.7 19.4 1.0
S1 A:SF4700 3.8 22.2 1.0
N A:ILE335 3.9 20.3 1.0
CB A:ARG311 4.0 15.5 1.0
C A:CYS334 4.1 20.8 1.0
CA A:GLY336 4.2 21.6 1.0
CD A:ARG311 4.4 15.5 1.0
CG A:ARG311 4.5 17.4 1.0
N A:CYS337 4.6 21.2 1.0
O A:ARG311 4.6 18.5 1.0
SG A:CYS353 4.7 21.7 1.0
C A:ILE335 4.7 21.9 1.0
C A:ARG311 4.9 16.4 1.0
C A:GLY336 4.9 21.4 1.0
CA A:ILE335 4.9 21.2 1.0
SG A:CYS341 4.9 23.1 1.0
CB A:ALA315 4.9 19.7 1.0
CA A:ARG311 5.0 17.1 1.0
NE A:ARG311 5.0 17.8 1.0

Iron binding site 2 out of 4 in 1ps9

Go back to Iron Binding Sites List in 1ps9
Iron binding site 2 out of 4 in the The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe700

b:24.1
occ:1.00
 FE2 A:SF4700 0.0 24.1 1.0
SG A:CYS337 2.3 21.3 1.0
S3 A:SF4700 2.3 20.7 1.0
S4 A:SF4700 2.3 21.2 1.0
S1 A:SF4700 2.3 22.2 1.0
FE1 A:SF4700 2.8 19.7 1.0
FE4 A:SF4700 2.8 20.1 1.0
FE3 A:SF4700 2.9 21.0 1.0
N A:CYS337 3.3 21.2 1.0
N A:ASN338 3.6 22.6 1.0
CB A:CYS337 3.6 22.8 1.0
S2 A:SF4700 3.8 22.0 1.0
CA A:CYS337 3.8 22.0 1.0
C A:CYS337 4.1 23.4 1.0
CG1 A:ILE335 4.1 24.2 1.0
N A:GLY336 4.2 19.4 1.0
C A:GLY336 4.3 21.4 1.0
CA A:ASN338 4.5 23.4 1.0
CB A:LEU354 4.5 25.6 1.0
CA A:GLY336 4.5 21.6 1.0
N A:GLN339 4.6 21.0 1.0
N A:ILE335 4.7 20.3 1.0
SG A:CYS334 4.8 18.4 1.0
N A:LEU354 4.8 25.5 1.0
C A:ILE335 4.8 21.9 1.0
CD1 A:ILE335 4.9 21.0 1.0
SG A:CYS341 4.9 23.1 1.0
C A:ASN338 5.0 21.8 1.0
SG A:CYS353 5.0 21.7 1.0

Iron binding site 3 out of 4 in 1ps9

Go back to Iron Binding Sites List in 1ps9
Iron binding site 3 out of 4 in the The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe700

b:21.0
occ:1.00
 FE3 A:SF4700 0.0 21.0 1.0
S4 A:SF4700 2.0 21.2 1.0
S2 A:SF4700 2.3 22.0 1.0
SG A:CYS353 2.3 21.7 1.0
S1 A:SF4700 2.3 22.2 1.0
FE4 A:SF4700 2.7 20.1 1.0
FE1 A:SF4700 2.8 19.7 1.0
FE2 A:SF4700 2.9 24.1 1.0
CB A:CYS353 3.2 21.2 1.0
CA A:CYS353 3.5 24.3 1.0
N A:LEU354 3.5 25.5 1.0
S3 A:SF4700 3.8 20.7 1.0
C A:CYS353 3.9 25.1 1.0
N A:VAL355 4.5 25.7 1.0
CG2 A:VAL355 4.6 23.1 1.0
CA A:LEU354 4.6 25.5 1.0
CB A:LEU354 4.7 25.6 1.0
CB A:ALA315 4.8 19.7 1.0
SG A:CYS337 4.8 21.3 1.0
O A:SER352 4.8 25.9 1.0
N A:CYS353 4.8 23.7 1.0
CA A:ALA315 5.0 21.2 1.0

Iron binding site 4 out of 4 in 1ps9

Go back to Iron Binding Sites List in 1ps9
Iron binding site 4 out of 4 in the The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Crystal Structure and Reaction Mechanism of E. Coli 2,4-Dienoyl Coa Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe700

b:20.1
occ:1.00
 FE4 A:SF4700 0.0 20.1 1.0
S1 A:SF4700 2.0 22.2 1.0
S2 A:SF4700 2.0 22.0 1.0
S3 A:SF4700 2.0 20.7 1.0
SG A:CYS341 2.5 23.1 1.0
FE3 A:SF4700 2.7 21.0 1.0
FE2 A:SF4700 2.8 24.1 1.0
FE1 A:SF4700 2.8 19.7 1.0
CB A:CYS341 3.3 23.9 1.0
S4 A:SF4700 3.7 21.2 1.0
N A:CYS341 4.1 22.0 1.0
N A:ASN338 4.2 22.6 1.0
CD A:ARG311 4.2 15.5 1.0
CG A:ARG311 4.3 17.4 1.0
CA A:CYS341 4.3 24.0 1.0
CA A:ASN338 4.4 23.4 1.0
SG A:CYS337 4.6 21.3 1.0
CB A:ARG311 4.7 15.5 1.0
O A:SER352 4.7 25.9 1.0
C A:ASN338 4.8 21.8 1.0
SG A:CYS353 4.8 21.7 1.0
SG A:CYS334 4.9 18.4 1.0
CA A:CYS353 4.9 24.3 1.0
CD2 A:LEU314 5.0 25.7 1.0

Reference:

P.A.Hubbard, X.Liang, H.Schulz, J.J.Kim. The Crystal Structure and Reaction Mechanism of Escherichia Coli 2,4-Dienoyl-Coa Reductase J.Biol.Chem. V. 278 37553 2003.
ISSN: ISSN 0021-9258
PubMed: 12840019
DOI: 10.1074/JBC.M304642200
Page generated: Sat Aug 3 13:12:57 2024

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