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Iron in PDB 1o95: Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein

Enzymatic activity of Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein

All present enzymatic activity of Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein:
1.5.99.7;

Protein crystallography data

The structure of Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein, PDB code: 1o95 was solved by D.Leys, J.Basran, F.Talfournier, M.J.Sutcliffe, N.S.Scrutton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 3.7
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 102.500, 116.513, 138.706, 90.00, 95.35, 90.00
R / Rfree (%) 25.2 / 35.3

Iron Binding Sites:

The binding sites of Iron atom in the Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein (pdb code 1o95). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein, PDB code: 1o95:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 1o95

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Iron binding site 1 out of 8 in the Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1732

b:38.0
occ:1.00
 FE1 A:SF41732 0.0 38.0 1.0
SG A:CYS345 2.0 43.9 1.0
S3 A:SF41732 2.3 41.8 1.0
S2 A:SF41732 2.3 33.2 1.0
S4 A:SF41732 2.3 33.5 1.0
FE2 A:SF41732 2.4 32.0 1.0
FE3 A:SF41732 2.5 40.0 1.0
FE4 A:SF41732 2.6 36.9 1.0
CB A:CYS345 3.2 48.1 1.0
S1 A:SF41732 3.7 39.4 1.0
CA A:CYS345 3.8 49.0 1.0
N A:GLY347 3.9 49.4 1.0
N A:ILE346 4.0 50.6 1.0
C A:CYS345 4.2 50.1 1.0
SG A:CYS348 4.2 50.7 1.0
CB A:ARG322 4.2 48.5 1.0
SG A:CYS364 4.3 35.9 1.0
CA A:GLY347 4.6 49.8 1.0
O A:ARG322 4.6 49.9 1.0
SG A:CYS351 4.7 40.0 1.0
C A:ARG322 4.8 49.2 1.0
CB A:ALA326 4.8 55.2 1.0
CG A:ARG322 4.8 45.9 1.0
N A:CYS348 4.9 49.9 1.0
CA A:ARG322 4.9 49.1 1.0
C A:ILE346 4.9 49.7 1.0

Iron binding site 2 out of 8 in 1o95

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Iron binding site 2 out of 8 in the Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1732

b:36.9
occ:1.00
 FE4 A:SF41732 0.0 36.9 1.0
SG A:CYS348 1.7 50.7 1.0
S2 A:SF41732 2.2 33.2 1.0
S1 A:SF41732 2.2 39.4 1.0
S3 A:SF41732 2.2 41.8 1.0
FE2 A:SF41732 2.5 32.0 1.0
FE1 A:SF41732 2.6 38.0 1.0
FE3 A:SF41732 2.6 40.0 1.0
N A:CYS348 3.3 49.9 1.0
CB A:CYS348 3.5 49.8 1.0
N A:ASN349 3.7 49.1 1.0
N A:GLY347 3.8 49.4 1.0
CA A:CYS348 3.9 49.9 1.0
S4 A:SF41732 4.0 33.5 1.0
SG A:CYS345 4.1 43.9 1.0
CG1 A:ILE346 4.2 51.6 1.0
C A:CYS348 4.3 49.8 1.0
OG1 A:THR365 4.3 42.8 1.0
C A:GLY347 4.4 50.2 1.0
N A:VAL350 4.4 47.5 1.0
CA A:GLY347 4.4 49.8 1.0
CB A:THR365 4.5 42.9 1.0
N A:THR365 4.5 43.1 1.0
N A:ILE346 4.5 50.6 1.0
SG A:CYS364 4.6 35.9 1.0
CA A:ASN349 4.6 48.1 1.0
SG A:CYS351 4.7 40.0 1.0
C A:ILE346 4.7 49.7 1.0
CD1 A:ILE346 4.9 53.1 1.0

Iron binding site 3 out of 8 in 1o95

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Iron binding site 3 out of 8 in the Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1732

b:40.0
occ:1.00
 FE3 A:SF41732 0.0 40.0 1.0
SG A:CYS364 2.1 35.9 1.0
S1 A:SF41732 2.3 39.4 1.0
S4 A:SF41732 2.3 33.5 1.0
FE2 A:SF41732 2.3 32.0 1.0
S2 A:SF41732 2.3 33.2 1.0
FE1 A:SF41732 2.5 38.0 1.0
FE4 A:SF41732 2.6 36.9 1.0
CB A:CYS364 3.4 43.1 1.0
N A:THR365 3.6 43.1 1.0
S3 A:SF41732 3.7 41.8 1.0
CA A:CYS364 3.9 43.0 1.0
C A:CYS364 4.2 43.4 1.0
SG A:CYS348 4.2 50.7 1.0
SG A:CYS345 4.3 43.9 1.0
N A:GLN366 4.3 45.9 1.0
CG2 A:ILE325 4.4 51.9 1.0
SG A:CYS351 4.4 40.0 1.0
CA A:THR365 4.7 43.6 1.0
CB A:THR365 4.9 42.9 1.0
N A:ALA326 4.9 54.4 1.0
C A:THR365 5.0 44.8 1.0
OG1 A:THR365 5.0 42.8 1.0

Iron binding site 4 out of 8 in 1o95

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Iron binding site 4 out of 8 in the Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1732

b:32.0
occ:1.00
 FE2 A:SF41732 0.0 32.0 1.0
S1 A:SF41732 2.2 39.4 1.0
S4 A:SF41732 2.3 33.5 1.0
S3 A:SF41732 2.3 41.8 1.0
FE3 A:SF41732 2.3 40.0 1.0
FE1 A:SF41732 2.4 38.0 1.0
SG A:CYS351 2.5 40.0 1.0
FE4 A:SF41732 2.5 36.9 1.0
S2 A:SF41732 3.6 33.2 1.0
CB A:CYS351 3.7 44.2 1.0
SG A:CYS348 4.0 50.7 1.0
SG A:CYS364 4.1 35.9 1.0
N A:CYS351 4.2 46.2 1.0
SG A:CYS345 4.2 43.9 1.0
N A:ASN349 4.3 49.1 1.0
CA A:ASN349 4.5 48.1 1.0
N A:VAL350 4.5 47.5 1.0
CG A:ARG322 4.5 45.9 1.0
CA A:CYS351 4.6 44.6 1.0
CB A:ARG322 4.7 48.5 1.0
C A:ASN349 4.8 48.5 1.0
CG2 A:ILE325 4.9 51.9 1.0
CD A:ARG322 4.9 45.5 1.0

Iron binding site 5 out of 8 in 1o95

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Iron binding site 5 out of 8 in the Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1732

b:37.8
occ:1.00
 FE1 B:SF41732 0.0 37.8 1.0
SG B:CYS348 1.9 47.0 1.0
S4 B:SF41732 2.2 42.1 1.0
S2 B:SF41732 2.2 44.8 1.0
S3 B:SF41732 2.3 41.4 1.0
FE4 B:SF41732 2.5 33.8 1.0
FE2 B:SF41732 2.5 33.5 1.0
FE3 B:SF41732 2.6 34.9 1.0
N B:CYS348 3.5 49.6 1.0
CB B:CYS348 3.6 49.2 1.0
N B:ASN349 3.8 49.1 1.0
CG1 B:ILE346 3.8 50.2 1.0
S1 B:SF41732 3.9 34.1 1.0
OG1 B:THR365 4.0 40.7 1.0
CA B:CYS348 4.0 49.6 1.0
N B:GLY347 4.1 49.7 1.0
CB B:THR365 4.3 42.5 1.0
C B:CYS348 4.3 49.7 1.0
SG B:CYS345 4.4 40.0 1.0
SG B:CYS364 4.4 40.7 1.0
N B:THR365 4.4 43.5 1.0
N B:ILE346 4.5 50.7 1.0
N B:VAL350 4.5 47.2 1.0
SG B:CYS351 4.5 42.4 1.0
C B:GLY347 4.6 49.8 1.0
CD1 B:ILE346 4.7 47.3 1.0
CA B:GLY347 4.8 49.9 1.0
CA B:ASN349 4.8 48.7 1.0
C B:ILE346 4.8 49.8 1.0
CA B:ILE346 4.9 50.1 1.0
CA B:THR365 4.9 43.5 1.0
CB B:ILE346 5.0 50.1 1.0

Iron binding site 6 out of 8 in 1o95

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Iron binding site 6 out of 8 in the Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1732

b:33.5
occ:1.00
 FE2 B:SF41732 0.0 33.5 1.0
S1 B:SF41732 2.2 34.1 1.0
SG B:CYS351 2.2 42.4 1.0
S4 B:SF41732 2.2 42.1 1.0
FE4 B:SF41732 2.2 33.8 1.0
S3 B:SF41732 2.3 41.4 1.0
FE3 B:SF41732 2.5 34.9 1.0
FE1 B:SF41732 2.5 37.8 1.0
CB B:CYS351 3.5 44.0 1.0
S2 B:SF41732 3.6 44.8 1.0
CG B:ARG322 4.1 45.5 1.0
SG B:CYS348 4.1 47.0 1.0
N B:CYS351 4.1 45.6 1.0
N B:ASN349 4.1 49.1 1.0
SG B:CYS364 4.2 40.7 1.0
SG B:CYS345 4.3 40.0 1.0
CA B:ASN349 4.4 48.7 1.0
CA B:CYS351 4.4 44.5 1.0
CB B:ARG322 4.5 48.0 1.0
N B:VAL350 4.5 47.2 1.0
CD B:ARG322 4.8 43.6 1.0
C B:ASN349 4.8 48.5 1.0
N B:CYS348 4.8 49.6 1.0

Iron binding site 7 out of 8 in 1o95

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Iron binding site 7 out of 8 in the Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1732

b:34.9
occ:1.00
 FE3 B:SF41732 0.0 34.9 1.0
SG B:CYS345 2.1 40.0 1.0
S2 B:SF41732 2.2 44.8 1.0
S1 B:SF41732 2.2 34.1 1.0
S4 B:SF41732 2.2 42.1 1.0
FE4 B:SF41732 2.4 33.8 1.0
FE2 B:SF41732 2.5 33.5 1.0
FE1 B:SF41732 2.6 37.8 1.0
CB B:CYS345 3.4 48.0 1.0
CA B:CYS345 3.6 49.0 1.0
N B:ILE346 3.8 50.7 1.0
S3 B:SF41732 3.9 41.4 1.0
N B:GLY347 4.0 49.7 1.0
C B:CYS345 4.1 50.2 1.0
CB B:ARG322 4.1 48.0 1.0
SG B:CYS364 4.4 40.7 1.0
SG B:CYS348 4.4 47.0 1.0
CG B:ARG322 4.6 45.5 1.0
SG B:CYS351 4.6 42.4 1.0
CB B:ALA326 4.7 54.5 1.0
N B:CYS348 4.8 49.6 1.0
CA B:ILE346 4.8 50.1 1.0
CA B:GLY347 4.8 49.9 1.0
C B:ILE346 4.9 49.8 1.0
N B:CYS345 5.0 50.6 1.0
CA B:ARG322 5.0 48.6 1.0
C B:ARG322 5.0 48.9 1.0

Iron binding site 8 out of 8 in 1o95

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Iron binding site 8 out of 8 in the Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1732

b:33.8
occ:1.00
 FE4 B:SF41732 0.0 33.8 1.0
S1 B:SF41732 2.2 34.1 1.0
SG B:CYS364 2.2 40.7 1.0
FE2 B:SF41732 2.2 33.5 1.0
S3 B:SF41732 2.3 41.4 1.0
S2 B:SF41732 2.3 44.8 1.0
FE3 B:SF41732 2.4 34.9 1.0
FE1 B:SF41732 2.5 37.8 1.0
S4 B:SF41732 3.5 42.1 1.0
CB B:CYS364 3.6 43.0 1.0
N B:THR365 3.8 43.5 1.0
SG B:CYS351 4.1 42.4 1.0
CA B:CYS364 4.1 43.2 1.0
C B:CYS364 4.3 43.6 1.0
CG2 B:ILE325 4.3 52.7 1.0
SG B:CYS348 4.3 47.0 1.0
N B:GLN366 4.5 45.7 1.0
SG B:CYS345 4.5 40.0 1.0
CB B:CYS351 4.7 44.0 1.0
N B:ALA326 4.7 53.9 1.0
CA B:THR365 4.8 43.5 1.0
OG1 B:THR365 4.8 40.7 1.0
CB B:THR365 4.9 42.5 1.0

Reference:

D.Leys, J.Basran, F.Talfournier, M.J.Sutcliffe, N.S.Scrutton. Extensive Conformational Sampling in A Ternary Electron Transfer Complex. Nat.Struct.Biol. V. 10 219 2003.
ISSN: ISSN 1072-8368
PubMed: 12567183
DOI: 10.1038/NSB894
Page generated: Sat Aug 3 12:12:40 2024

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