Iron in PDB 3dtu: Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid
Enzymatic activity of Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid
All present enzymatic activity of Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid:
1.9.3.1;
Protein crystallography data
The structure of Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid, PDB code: 3dtu
was solved by
L.Qin,
D.A.Mills,
L.Buhrow,
C.Hiser,
S.Ferguson-Miller,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
40.00 /
2.15
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
123.243,
132.052,
167.966,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.4 /
21.2
|
Other elements in 3dtu:
The structure of Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid
(pdb code 3dtu). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid, PDB code: 3dtu:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 3dtu
Go back to
Iron Binding Sites List in 3dtu
Iron binding site 1 out
of 4 in the Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1502
b:25.7
occ:1.00
|
FE
|
A:HEA1502
|
0.0
|
25.7
|
1.0
|
NB
|
A:HEA1502
|
2.0
|
25.2
|
1.0
|
ND
|
A:HEA1502
|
2.0
|
25.1
|
1.0
|
NC
|
A:HEA1502
|
2.0
|
27.2
|
1.0
|
NA
|
A:HEA1502
|
2.0
|
25.3
|
1.0
|
NE2
|
A:HIS102
|
2.0
|
26.8
|
1.0
|
NE2
|
A:HIS421
|
2.1
|
25.4
|
1.0
|
CE1
|
A:HIS102
|
2.9
|
27.1
|
1.0
|
C1A
|
A:HEA1502
|
3.0
|
23.4
|
1.0
|
C4B
|
A:HEA1502
|
3.0
|
26.7
|
1.0
|
C4D
|
A:HEA1502
|
3.0
|
25.9
|
1.0
|
C1C
|
A:HEA1502
|
3.0
|
25.5
|
1.0
|
C1B
|
A:HEA1502
|
3.0
|
26.0
|
1.0
|
C1D
|
A:HEA1502
|
3.0
|
25.6
|
1.0
|
CE1
|
A:HIS421
|
3.0
|
26.7
|
1.0
|
C4C
|
A:HEA1502
|
3.0
|
26.4
|
1.0
|
C4A
|
A:HEA1502
|
3.0
|
24.9
|
1.0
|
CD2
|
A:HIS102
|
3.1
|
27.0
|
1.0
|
CD2
|
A:HIS421
|
3.1
|
26.5
|
1.0
|
CHA
|
A:HEA1502
|
3.4
|
24.1
|
1.0
|
CHC
|
A:HEA1502
|
3.4
|
25.3
|
1.0
|
CHD
|
A:HEA1502
|
3.4
|
25.1
|
1.0
|
CHB
|
A:HEA1502
|
3.4
|
24.6
|
1.0
|
ND1
|
A:HIS102
|
4.1
|
27.1
|
1.0
|
ND1
|
A:HIS421
|
4.2
|
26.0
|
1.0
|
CG
|
A:HIS102
|
4.2
|
28.7
|
1.0
|
C2A
|
A:HEA1502
|
4.2
|
25.4
|
1.0
|
C3B
|
A:HEA1502
|
4.2
|
26.1
|
1.0
|
C3D
|
A:HEA1502
|
4.2
|
25.7
|
1.0
|
C2C
|
A:HEA1502
|
4.2
|
26.3
|
1.0
|
CG
|
A:HIS421
|
4.2
|
26.5
|
1.0
|
C2D
|
A:HEA1502
|
4.2
|
24.5
|
1.0
|
C3A
|
A:HEA1502
|
4.2
|
25.6
|
1.0
|
C2B
|
A:HEA1502
|
4.2
|
25.3
|
1.0
|
C3C
|
A:HEA1502
|
4.3
|
26.2
|
1.0
|
CG2
|
A:THR48
|
4.6
|
27.7
|
1.0
|
CE1
|
A:PHE420
|
5.0
|
26.5
|
1.0
|
|
Iron binding site 2 out
of 4 in 3dtu
Go back to
Iron Binding Sites List in 3dtu
Iron binding site 2 out
of 4 in the Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1503
b:28.4
occ:1.00
|
FE
|
A:HEA1503
|
0.0
|
28.4
|
1.0
|
NB
|
A:HEA1503
|
2.1
|
28.8
|
1.0
|
ND
|
A:HEA1503
|
2.1
|
28.6
|
1.0
|
O
|
A:HOH1511
|
2.1
|
25.6
|
1.0
|
NC
|
A:HEA1503
|
2.1
|
29.1
|
1.0
|
NA
|
A:HEA1503
|
2.1
|
30.4
|
1.0
|
NE2
|
A:HIS419
|
2.1
|
24.2
|
1.0
|
C1B
|
A:HEA1503
|
3.1
|
30.0
|
1.0
|
C4B
|
A:HEA1503
|
3.1
|
29.1
|
1.0
|
C1C
|
A:HEA1503
|
3.1
|
30.3
|
1.0
|
CE1
|
A:HIS419
|
3.1
|
27.6
|
1.0
|
C4D
|
A:HEA1503
|
3.1
|
30.2
|
1.0
|
C4A
|
A:HEA1503
|
3.1
|
29.3
|
1.0
|
C1A
|
A:HEA1503
|
3.1
|
30.5
|
1.0
|
C1D
|
A:HEA1503
|
3.1
|
31.4
|
1.0
|
CD2
|
A:HIS419
|
3.1
|
25.8
|
1.0
|
C4C
|
A:HEA1503
|
3.1
|
29.9
|
1.0
|
CHC
|
A:HEA1503
|
3.4
|
28.7
|
1.0
|
CHB
|
A:HEA1503
|
3.4
|
29.3
|
1.0
|
CHA
|
A:HEA1503
|
3.5
|
29.7
|
1.0
|
CHD
|
A:HEA1503
|
3.5
|
29.6
|
1.0
|
O
|
A:OH1501
|
4.0
|
35.7
|
1.0
|
ND1
|
A:HIS419
|
4.2
|
26.6
|
1.0
|
CG
|
A:HIS419
|
4.3
|
26.9
|
1.0
|
C2B
|
A:HEA1503
|
4.3
|
29.0
|
1.0
|
C3B
|
A:HEA1503
|
4.3
|
29.7
|
1.0
|
C3A
|
A:HEA1503
|
4.3
|
29.6
|
1.0
|
C2A
|
A:HEA1503
|
4.3
|
30.1
|
1.0
|
C3D
|
A:HEA1503
|
4.3
|
29.0
|
1.0
|
C2C
|
A:HEA1503
|
4.3
|
31.2
|
1.0
|
C2D
|
A:HEA1503
|
4.3
|
29.6
|
1.0
|
C3C
|
A:HEA1503
|
4.4
|
30.3
|
1.0
|
CU
|
A:CU1023
|
4.9
|
32.5
|
1.0
|
|
Iron binding site 3 out
of 4 in 3dtu
Go back to
Iron Binding Sites List in 3dtu
Iron binding site 3 out
of 4 in the Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe574
b:25.8
occ:1.00
|
FE
|
C:HEA574
|
0.0
|
25.8
|
1.0
|
ND
|
C:HEA574
|
2.0
|
26.1
|
1.0
|
NB
|
C:HEA574
|
2.0
|
25.9
|
1.0
|
NA
|
C:HEA574
|
2.0
|
26.6
|
1.0
|
NC
|
C:HEA574
|
2.0
|
27.0
|
1.0
|
NE2
|
C:HIS102
|
2.0
|
26.5
|
1.0
|
NE2
|
C:HIS421
|
2.1
|
25.4
|
1.0
|
CE1
|
C:HIS102
|
2.9
|
28.1
|
1.0
|
C4B
|
C:HEA574
|
3.0
|
26.2
|
1.0
|
CE1
|
C:HIS421
|
3.0
|
25.5
|
1.0
|
C4D
|
C:HEA574
|
3.0
|
26.0
|
1.0
|
C1D
|
C:HEA574
|
3.0
|
26.4
|
1.0
|
C1A
|
C:HEA574
|
3.0
|
25.1
|
1.0
|
C4A
|
C:HEA574
|
3.0
|
26.1
|
1.0
|
C1C
|
C:HEA574
|
3.0
|
26.1
|
1.0
|
C1B
|
C:HEA574
|
3.0
|
28.1
|
1.0
|
C4C
|
C:HEA574
|
3.0
|
26.0
|
1.0
|
CD2
|
C:HIS421
|
3.1
|
25.6
|
1.0
|
CD2
|
C:HIS102
|
3.1
|
26.4
|
1.0
|
CHC
|
C:HEA574
|
3.4
|
24.9
|
1.0
|
CHA
|
C:HEA574
|
3.4
|
24.9
|
1.0
|
CHD
|
C:HEA574
|
3.4
|
25.1
|
1.0
|
CHB
|
C:HEA574
|
3.4
|
25.8
|
1.0
|
ND1
|
C:HIS102
|
4.1
|
26.2
|
1.0
|
ND1
|
C:HIS421
|
4.1
|
24.5
|
1.0
|
CG
|
C:HIS102
|
4.2
|
27.6
|
1.0
|
CG
|
C:HIS421
|
4.2
|
25.2
|
1.0
|
C2D
|
C:HEA574
|
4.2
|
24.6
|
1.0
|
C3D
|
C:HEA574
|
4.2
|
27.1
|
1.0
|
C3B
|
C:HEA574
|
4.2
|
27.6
|
1.0
|
C2A
|
C:HEA574
|
4.2
|
26.3
|
1.0
|
C3A
|
C:HEA574
|
4.2
|
26.3
|
1.0
|
C2B
|
C:HEA574
|
4.3
|
26.8
|
1.0
|
C2C
|
C:HEA574
|
4.3
|
26.3
|
1.0
|
C3C
|
C:HEA574
|
4.3
|
25.9
|
1.0
|
CG2
|
C:THR48
|
4.6
|
29.4
|
1.0
|
CE1
|
C:PHE420
|
4.9
|
23.8
|
1.0
|
|
Iron binding site 4 out
of 4 in 3dtu
Go back to
Iron Binding Sites List in 3dtu
Iron binding site 4 out
of 4 in the Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Catalytic Core Subunits (I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides Complexed with Deoxycholic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe575
b:24.5
occ:1.00
|
FE
|
C:HEA575
|
0.0
|
24.5
|
1.0
|
O
|
C:HOH589
|
2.0
|
26.3
|
1.0
|
ND
|
C:HEA575
|
2.1
|
24.3
|
1.0
|
NA
|
C:HEA575
|
2.1
|
25.0
|
1.0
|
NB
|
C:HEA575
|
2.1
|
22.7
|
1.0
|
NC
|
C:HEA575
|
2.1
|
23.2
|
1.0
|
NE2
|
C:HIS419
|
2.1
|
24.6
|
1.0
|
C1A
|
C:HEA575
|
3.1
|
25.0
|
1.0
|
C4D
|
C:HEA575
|
3.1
|
23.7
|
1.0
|
CE1
|
C:HIS419
|
3.1
|
22.8
|
1.0
|
C1C
|
C:HEA575
|
3.1
|
23.0
|
1.0
|
C4A
|
C:HEA575
|
3.1
|
25.2
|
1.0
|
C1B
|
C:HEA575
|
3.1
|
24.9
|
1.0
|
C4B
|
C:HEA575
|
3.1
|
23.5
|
1.0
|
C1D
|
C:HEA575
|
3.1
|
25.4
|
1.0
|
CD2
|
C:HIS419
|
3.1
|
22.7
|
1.0
|
C4C
|
C:HEA575
|
3.1
|
23.7
|
1.0
|
CHA
|
C:HEA575
|
3.4
|
23.3
|
1.0
|
CHC
|
C:HEA575
|
3.4
|
24.2
|
1.0
|
CHB
|
C:HEA575
|
3.5
|
24.4
|
1.0
|
CHD
|
C:HEA575
|
3.5
|
23.4
|
1.0
|
O
|
C:OH572
|
3.8
|
28.7
|
1.0
|
ND1
|
C:HIS419
|
4.2
|
24.2
|
1.0
|
CG
|
C:HIS419
|
4.2
|
24.7
|
1.0
|
C2A
|
C:HEA575
|
4.3
|
24.9
|
1.0
|
C3D
|
C:HEA575
|
4.3
|
23.5
|
1.0
|
C3A
|
C:HEA575
|
4.3
|
24.4
|
1.0
|
C2B
|
C:HEA575
|
4.3
|
24.6
|
1.0
|
C2C
|
C:HEA575
|
4.3
|
23.1
|
1.0
|
C3B
|
C:HEA575
|
4.3
|
25.1
|
1.0
|
C2D
|
C:HEA575
|
4.3
|
24.3
|
1.0
|
C3C
|
C:HEA575
|
4.3
|
24.5
|
1.0
|
CU
|
C:CU569
|
4.9
|
26.5
|
1.0
|
CG2
|
C:VAL423
|
5.0
|
27.5
|
1.0
|
|
Reference:
L.Qin,
D.A.Mills,
L.Buhrow,
C.Hiser,
S.Ferguson-Miller.
A Conserved Steroid Binding Site in Cytochrome C Oxidase. Biochemistry V. 47 9931 2008.
ISSN: ISSN 0006-2960
PubMed: 18759498
DOI: 10.1021/BI8013483
Page generated: Sun Aug 4 09:13:15 2024
|