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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:

Magnesium (Mg) 2 atoms
Cadmium (Cd) 5 atoms
Calcium (Ca) 2 atoms
Copper (Cu) 6 atoms

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 Dec 13 15:04:00 2020

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