Iron in PDB 2xz0: The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein.
Enzymatic activity of The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein.
All present enzymatic activity of The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein.:
1.14.19.2;
Protein crystallography data
The structure of The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein., PDB code: 2xz0
was solved by
M.Moche,
J.E.Guy,
E.Whittle,
J.Lengqvist,
J.Shanklin,
Y.Lindqvist,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.28 /
3.00
|
Space group
|
P 31 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
188.274,
188.274,
81.315,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
24.3 /
27.7
|
Other elements in 2xz0:
The structure of The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein. also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein.
(pdb code 2xz0). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the
The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein., PDB code: 2xz0:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
Iron binding site 1 out
of 6 in 2xz0
Go back to
Iron Binding Sites List in 2xz0
Iron binding site 1 out
of 6 in the The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1364
b:67.3
occ:1.00
|
OE1
|
A:GLU143
|
2.0
|
57.0
|
1.0
|
OE2
|
A:GLU229
|
2.2
|
78.4
|
1.0
|
OE2
|
A:GLU105
|
2.3
|
65.0
|
1.0
|
OE1
|
A:GLU105
|
2.4
|
70.4
|
1.0
|
ND1
|
A:HIS146
|
2.4
|
64.1
|
1.0
|
CD
|
A:GLU105
|
2.7
|
65.2
|
1.0
|
CD
|
A:GLU143
|
2.9
|
66.5
|
1.0
|
FE
|
A:FE1365
|
3.0
|
77.0
|
1.0
|
CE1
|
A:HIS146
|
3.1
|
67.9
|
1.0
|
O
|
A:HOH2009
|
3.2
|
68.1
|
1.0
|
OE2
|
A:GLU143
|
3.2
|
66.7
|
1.0
|
CD
|
A:GLU229
|
3.3
|
84.2
|
1.0
|
CG
|
A:HIS146
|
3.6
|
63.2
|
1.0
|
OE1
|
A:GLU229
|
3.6
|
79.9
|
1.0
|
CB
|
A:HIS146
|
4.1
|
53.9
|
1.0
|
CG
|
A:GLU105
|
4.2
|
60.4
|
1.0
|
CG
|
A:GLU143
|
4.3
|
63.2
|
1.0
|
NE2
|
A:HIS146
|
4.3
|
65.0
|
1.0
|
CG
|
A:GLU229
|
4.6
|
82.2
|
1.0
|
CD2
|
A:HIS146
|
4.6
|
62.1
|
1.0
|
CB
|
A:GLU143
|
4.7
|
59.0
|
1.0
|
CG2
|
A:ILE225
|
4.8
|
58.4
|
1.0
|
OE1
|
A:GLU196
|
4.8
|
88.2
|
1.0
|
CA
|
A:GLU143
|
4.9
|
57.9
|
1.0
|
|
Iron binding site 2 out
of 6 in 2xz0
Go back to
Iron Binding Sites List in 2xz0
Iron binding site 2 out
of 6 in the The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1365
b:77.0
occ:1.00
|
OE2
|
A:GLU143
|
2.0
|
66.7
|
1.0
|
OE1
|
A:GLU229
|
2.2
|
79.9
|
1.0
|
OE1
|
A:GLU196
|
2.3
|
88.2
|
1.0
|
OE2
|
A:GLU196
|
2.4
|
84.6
|
1.0
|
O
|
A:HOH2009
|
2.5
|
68.1
|
1.0
|
CD
|
A:GLU196
|
2.7
|
86.7
|
1.0
|
CD
|
A:GLU143
|
2.8
|
66.5
|
1.0
|
CD
|
A:GLU229
|
2.9
|
84.2
|
1.0
|
OE2
|
A:GLU229
|
3.0
|
78.4
|
1.0
|
FE
|
A:FE1364
|
3.0
|
67.3
|
1.0
|
OE1
|
A:GLU143
|
3.2
|
57.0
|
1.0
|
ND1
|
A:HIS232
|
3.7
|
81.7
|
1.0
|
CZ2
|
A:TRP139
|
4.0
|
75.8
|
1.0
|
NE1
|
A:TRP139
|
4.0
|
76.5
|
1.0
|
CG
|
A:GLU143
|
4.1
|
63.2
|
1.0
|
CG
|
A:GLU196
|
4.2
|
86.2
|
1.0
|
CE2
|
A:TRP139
|
4.3
|
74.9
|
1.0
|
CG
|
A:GLU229
|
4.4
|
82.2
|
1.0
|
CE1
|
A:HIS232
|
4.4
|
77.6
|
1.0
|
CE1
|
A:HIS146
|
4.6
|
67.9
|
1.0
|
ND1
|
A:HIS146
|
4.7
|
64.1
|
1.0
|
OG1
|
A:THR199
|
4.8
|
86.1
|
1.0
|
CG
|
A:HIS232
|
4.8
|
82.3
|
1.0
|
CB
|
A:GLU229
|
5.0
|
79.1
|
1.0
|
|
Iron binding site 3 out
of 6 in 2xz0
Go back to
Iron Binding Sites List in 2xz0
Iron binding site 3 out
of 6 in the The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe1364
b:71.8
occ:1.00
|
OE1
|
B:GLU143
|
1.9
|
57.6
|
1.0
|
ND1
|
B:HIS146
|
2.1
|
65.0
|
1.0
|
OE1
|
B:GLU105
|
2.3
|
71.0
|
1.0
|
OE2
|
B:GLU105
|
2.3
|
65.7
|
1.0
|
OE2
|
B:GLU229
|
2.4
|
77.4
|
1.0
|
CD
|
B:GLU105
|
2.6
|
65.8
|
1.0
|
CE1
|
B:HIS146
|
2.8
|
68.6
|
1.0
|
CD
|
B:GLU143
|
2.9
|
66.4
|
1.0
|
CG
|
B:HIS146
|
3.2
|
65.3
|
1.0
|
OE2
|
B:GLU143
|
3.3
|
65.6
|
1.0
|
O
|
B:HOH2001
|
3.4
|
64.4
|
1.0
|
CD
|
B:GLU229
|
3.5
|
83.1
|
1.0
|
FE
|
B:FE1365
|
3.5
|
83.2
|
1.0
|
CB
|
B:HIS146
|
3.8
|
56.8
|
1.0
|
OE1
|
B:GLU229
|
3.8
|
77.8
|
1.0
|
NE2
|
B:HIS146
|
4.0
|
67.6
|
1.0
|
CG
|
B:GLU105
|
4.1
|
61.3
|
1.0
|
CD2
|
B:HIS146
|
4.2
|
64.6
|
1.0
|
CG
|
B:GLU143
|
4.3
|
62.8
|
1.0
|
CB
|
B:GLU143
|
4.5
|
60.2
|
1.0
|
CG2
|
B:ILE225
|
4.7
|
59.5
|
1.0
|
CA
|
B:GLU143
|
4.7
|
59.0
|
1.0
|
CG
|
B:GLU229
|
4.7
|
81.2
|
1.0
|
O
|
B:GLU143
|
4.8
|
60.9
|
1.0
|
CB
|
B:GLU105
|
5.0
|
56.0
|
1.0
|
|
Iron binding site 4 out
of 6 in 2xz0
Go back to
Iron Binding Sites List in 2xz0
Iron binding site 4 out
of 6 in the The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe1365
b:83.2
occ:1.00
|
OE2
|
B:GLU143
|
1.6
|
65.6
|
1.0
|
OE1
|
B:GLU229
|
2.3
|
77.8
|
1.0
|
OE2
|
B:GLU196
|
2.3
|
81.2
|
1.0
|
OE1
|
B:GLU196
|
2.5
|
84.7
|
1.0
|
CD
|
B:GLU143
|
2.6
|
66.4
|
1.0
|
O
|
B:HOH2001
|
2.6
|
64.4
|
1.0
|
CD
|
B:GLU196
|
2.8
|
82.5
|
1.0
|
OE1
|
B:GLU143
|
3.1
|
57.6
|
1.0
|
CD
|
B:GLU229
|
3.1
|
83.1
|
1.0
|
OE2
|
B:GLU229
|
3.3
|
77.4
|
1.0
|
ND1
|
B:HIS232
|
3.3
|
79.8
|
1.0
|
FE
|
B:FE1364
|
3.5
|
71.8
|
1.0
|
NE1
|
B:TRP139
|
3.6
|
73.9
|
1.0
|
CZ2
|
B:TRP139
|
3.8
|
73.5
|
1.0
|
CG
|
B:GLU143
|
3.8
|
62.8
|
1.0
|
CE2
|
B:TRP139
|
4.0
|
72.2
|
1.0
|
CE1
|
B:HIS232
|
4.0
|
76.8
|
1.0
|
CG
|
B:GLU196
|
4.2
|
80.0
|
1.0
|
CG
|
B:HIS232
|
4.4
|
79.8
|
1.0
|
CE1
|
B:HIS146
|
4.4
|
68.6
|
1.0
|
CG
|
B:GLU229
|
4.6
|
81.2
|
1.0
|
ND1
|
B:HIS146
|
4.7
|
65.0
|
1.0
|
CB
|
B:HIS232
|
4.7
|
79.1
|
1.0
|
CD1
|
B:TRP139
|
4.8
|
73.7
|
1.0
|
CH2
|
B:TRP139
|
4.9
|
72.7
|
1.0
|
|
Iron binding site 5 out
of 6 in 2xz0
Go back to
Iron Binding Sites List in 2xz0
Iron binding site 5 out
of 6 in the The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe1364
b:59.7
occ:1.00
|
OE1
|
C:GLU143
|
2.1
|
56.6
|
1.0
|
OE2
|
C:GLU105
|
2.2
|
62.1
|
1.0
|
OE1
|
C:GLU105
|
2.2
|
68.3
|
1.0
|
ND1
|
C:HIS146
|
2.3
|
63.1
|
1.0
|
OE2
|
C:GLU229
|
2.3
|
75.7
|
1.0
|
CD
|
C:GLU105
|
2.5
|
62.8
|
1.0
|
CE1
|
C:HIS146
|
3.0
|
66.7
|
1.0
|
FE
|
C:FE1365
|
3.0
|
83.6
|
1.0
|
CD
|
C:GLU143
|
3.1
|
64.9
|
1.0
|
CD
|
C:GLU229
|
3.4
|
81.4
|
1.0
|
OE2
|
C:GLU143
|
3.4
|
63.6
|
1.0
|
CG
|
C:HIS146
|
3.4
|
62.8
|
1.0
|
OE1
|
C:GLU229
|
3.8
|
77.0
|
1.0
|
CB
|
C:HIS146
|
3.9
|
53.8
|
1.0
|
CG
|
C:GLU105
|
4.0
|
58.5
|
1.0
|
NE2
|
C:HIS146
|
4.2
|
65.0
|
1.0
|
O
|
C:HOH2003
|
4.4
|
63.4
|
1.0
|
CG
|
C:GLU143
|
4.4
|
61.9
|
1.0
|
CD2
|
C:HIS146
|
4.4
|
62.0
|
1.0
|
CG2
|
C:ILE225
|
4.6
|
56.4
|
1.0
|
CG
|
C:GLU229
|
4.6
|
79.3
|
1.0
|
CB
|
C:GLU143
|
4.7
|
58.2
|
1.0
|
CA
|
C:GLU143
|
4.9
|
57.0
|
1.0
|
CB
|
C:GLU105
|
4.9
|
52.6
|
1.0
|
|
Iron binding site 6 out
of 6 in 2xz0
Go back to
Iron Binding Sites List in 2xz0
Iron binding site 6 out
of 6 in the The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase From Ricinus Communis (Castor Bean) and Acyl Carrier Protein. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe1365
b:83.6
occ:1.00
|
OE2
|
C:GLU143
|
2.1
|
63.6
|
1.0
|
OE1
|
C:GLU196
|
2.4
|
83.7
|
1.0
|
OE1
|
C:GLU229
|
2.4
|
77.0
|
1.0
|
O
|
C:HOH2003
|
2.7
|
63.4
|
1.0
|
OE2
|
C:GLU196
|
2.7
|
80.5
|
1.0
|
CD
|
C:GLU143
|
2.8
|
64.9
|
1.0
|
OE2
|
C:GLU229
|
2.9
|
75.7
|
1.0
|
CD
|
C:GLU196
|
2.9
|
81.7
|
1.0
|
CD
|
C:GLU229
|
3.0
|
81.4
|
1.0
|
OE1
|
C:GLU143
|
3.0
|
56.6
|
1.0
|
FE
|
C:FE1364
|
3.0
|
59.7
|
1.0
|
CZ2
|
C:TRP139
|
4.0
|
71.9
|
1.0
|
CG
|
C:GLU143
|
4.1
|
61.9
|
1.0
|
ND1
|
C:HIS232
|
4.2
|
79.1
|
1.0
|
NE1
|
C:TRP139
|
4.3
|
73.4
|
1.0
|
CG
|
C:GLU196
|
4.3
|
80.2
|
1.0
|
CE2
|
C:TRP139
|
4.5
|
71.4
|
1.0
|
CG
|
C:GLU229
|
4.5
|
79.3
|
1.0
|
CE1
|
C:HIS146
|
4.6
|
66.7
|
1.0
|
OG1
|
C:THR199
|
4.6
|
81.6
|
1.0
|
ND1
|
C:HIS146
|
4.7
|
63.1
|
1.0
|
OE1
|
C:GLU105
|
4.8
|
68.3
|
1.0
|
CE1
|
C:HIS232
|
4.8
|
76.0
|
1.0
|
OE2
|
C:GLU105
|
4.9
|
62.1
|
1.0
|
|
Reference:
J.E.Guy,
E.Whittle,
M.Moche,
J.Lengqvist,
Y.Lindqvist,
J.Shanklin.
Remote Control of Regioselectivity in Acyl-Acyl Carrier Protein-Desaturases. Proc.Natl.Acad.Sci.Usa V. 108 16594 2011.
ISSN: ISSN 0027-8424
PubMed: 21930947
DOI: 10.1073/PNAS.1110221108
Page generated: Sun Aug 4 05:04:11 2024
|