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:
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
|