Atomistry » Iron » PDB 1o1j-1off » 1o94
Atomistry »
  Iron »
    PDB 1o1j-1off »
      1o94 »

Iron in PDB 1o94: 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: 1o94 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) 19.88 / 2.0
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 118.930, 211.543, 125.970, 90.00, 100.03, 90.00
R / Rfree (%) 17.2 / 21.2

Iron Binding Sites:

The binding sites of Iron atom in the Ternary Complex Between Trimethylamine Dehydrogenase and Electron Transferring Flavoprotein (pdb code 1o94). 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: 1o94:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 1o94

Go back to Iron Binding Sites List in 1o94
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:32.6
occ:1.00
 FE1 A:SF41732 0.0 32.6 1.0
S4 A:SF41732 2.3 32.1 1.0
S2 A:SF41732 2.3 32.8 1.0
S3 A:SF41732 2.4 29.5 1.0
SG A:CYS345 2.4 29.5 1.0
FE2 A:SF41732 2.7 36.3 1.0
FE4 A:SF41732 2.8 30.2 1.0
FE3 A:SF41732 2.8 31.6 1.0
CB A:CYS345 3.3 26.5 1.0
CA A:CYS345 3.7 26.7 1.0
N A:ILE346 3.8 25.9 1.0
S1 A:SF41732 4.0 31.8 1.0
N A:GLY347 4.0 23.9 1.0
CB A:ARG322 4.1 21.7 1.0
C A:CYS345 4.1 27.7 1.0
O A:ARG322 4.4 21.9 1.0
CG A:ARG322 4.6 20.3 1.0
CB A:ALA326 4.6 24.8 1.0
CA A:GLY347 4.6 26.3 1.0
SG A:CYS364 4.8 22.3 1.0
C A:ARG322 4.8 22.4 1.0
CA A:ARG322 4.9 21.8 1.0
CD A:ARG322 4.9 25.9 1.0
SG A:CYS351 4.9 26.5 1.0
CA A:ILE346 4.9 26.7 1.0
C A:ILE346 4.9 27.1 1.0
N A:CYS348 4.9 28.3 1.0

Iron binding site 2 out of 8 in 1o94

Go back to Iron Binding Sites List in 1o94
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:36.3
occ:1.00
 FE2 A:SF41732 0.0 36.3 1.0
S1 A:SF41732 2.3 31.8 1.0
S3 A:SF41732 2.4 29.5 1.0
S4 A:SF41732 2.4 32.1 1.0
SG A:CYS348 2.4 28.9 1.0
FE4 A:SF41732 2.7 30.2 1.0
FE1 A:SF41732 2.7 32.6 1.0
FE3 A:SF41732 2.8 31.6 1.0
N A:CYS348 3.6 28.3 1.0
N A:ASN349 3.8 23.4 1.0
CB A:CYS348 3.9 27.7 1.0
S2 A:SF41732 4.0 32.8 1.0
CG1 A:ILE346 4.1 27.1 1.0
CA A:CYS348 4.1 26.9 1.0
OG1 A:THR365 4.2 25.0 1.0
CB A:THR365 4.2 25.2 1.0
N A:VAL350 4.4 24.4 1.0
C A:CYS348 4.4 25.6 1.0
N A:GLY347 4.4 23.9 1.0
N A:THR365 4.5 23.1 1.0
C A:GLY347 4.6 26.3 1.0
N A:ILE346 4.6 25.9 1.0
CA A:ASN349 4.7 24.2 1.0
SG A:CYS345 4.7 29.5 1.0
SG A:CYS351 4.7 26.5 1.0
CA A:GLY347 4.8 26.3 1.0
CD1 A:ILE346 4.9 26.5 1.0
SG A:CYS364 4.9 22.3 1.0
C A:ILE346 5.0 27.1 1.0

Iron binding site 3 out of 8 in 1o94

Go back to Iron Binding Sites List in 1o94
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:31.6
occ:1.00
 FE3 A:SF41732 0.0 31.6 1.0
SG A:CYS364 2.2 22.3 1.0
S2 A:SF41732 2.3 32.8 1.0
S1 A:SF41732 2.3 31.8 1.0
S4 A:SF41732 2.4 32.1 1.0
FE4 A:SF41732 2.7 30.2 1.0
FE1 A:SF41732 2.8 32.6 1.0
FE2 A:SF41732 2.8 36.3 1.0
CB A:CYS364 3.4 21.8 1.0
N A:THR365 3.7 23.1 1.0
CA A:CYS364 3.7 23.6 1.0
S3 A:SF41732 4.0 29.5 1.0
C A:CYS364 4.1 23.1 1.0
N A:GLN366 4.2 25.0 1.0
CG2 A:ILE325 4.5 21.3 1.0
CA A:THR365 4.6 24.8 1.0
SG A:CYS351 4.7 26.5 1.0
CB A:ALA326 4.7 24.8 1.0
CB A:THR365 4.7 25.2 1.0
CA A:ALA326 4.8 24.1 1.0
CB A:GLN366 4.8 24.5 1.0
N A:ALA326 4.8 22.7 1.0
CB A:CYS351 4.8 24.1 1.0
SG A:CYS348 4.9 28.9 1.0
C A:THR365 5.0 26.6 1.0

Iron binding site 4 out of 8 in 1o94

Go back to Iron Binding Sites List in 1o94
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:30.2
occ:1.00
 FE4 A:SF41732 0.0 30.2 1.0
SG A:CYS351 2.3 26.5 1.0
S3 A:SF41732 2.3 29.5 1.0
S2 A:SF41732 2.3 32.8 1.0
S1 A:SF41732 2.3 31.8 1.0
FE3 A:SF41732 2.7 31.6 1.0
FE2 A:SF41732 2.7 36.3 1.0
FE1 A:SF41732 2.8 32.6 1.0
CB A:CYS351 3.3 24.1 1.0
S4 A:SF41732 3.9 32.1 1.0
N A:CYS351 4.0 23.5 1.0
CG A:ARG322 4.1 20.3 1.0
CA A:CYS351 4.3 23.3 1.0
N A:ASN349 4.5 23.4 1.0
CD A:ARG322 4.5 25.9 1.0
CA A:ASN349 4.5 24.2 1.0
CB A:ARG322 4.5 21.7 1.0
N A:VAL350 4.6 24.4 1.0
SG A:CYS364 4.7 22.3 1.0
SG A:CYS348 4.7 28.9 1.0
SG A:CYS345 4.7 29.5 1.0
C A:ASN349 4.8 24.5 1.0

Iron binding site 5 out of 8 in 1o94

Go back to Iron Binding Sites List in 1o94
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:28.6
occ:1.00
 FE1 B:SF41732 0.0 28.6 1.0
S3 B:SF41732 2.0 43.4 1.0
S4 B:SF41732 2.1 49.5 1.0
SG B:CYS345 2.2 28.6 1.0
S2 B:SF41732 2.2 28.6 1.0
FE3 B:SF41732 2.7 29.5 1.0
FE4 B:SF41732 2.7 30.3 1.0
FE2 B:SF41732 2.9 33.4 1.0
CB B:CYS345 3.2 27.8 1.0
CA B:CYS345 3.6 26.2 1.0
N B:ILE346 3.8 25.4 1.0
N B:GLY347 4.0 24.5 1.0
S1 B:SF41732 4.0 29.5 1.0
CB B:ARG322 4.0 23.0 1.0
C B:CYS345 4.1 25.0 1.0
CG B:ARG322 4.3 20.9 1.0
O B:ARG322 4.4 20.9 1.0
CB B:ALA326 4.5 20.8 1.0
CA B:GLY347 4.6 23.4 1.0
C B:ARG322 4.7 21.4 1.0
SG B:CYS364 4.8 22.8 1.0
CD B:ARG322 4.8 21.7 1.0
CA B:ARG322 4.8 21.0 1.0
CA B:ILE346 4.9 25.3 1.0
C B:ILE346 4.9 26.1 1.0
SG B:CYS351 4.9 29.2 1.0
N B:CYS348 4.9 22.9 1.0
N B:CYS345 5.0 24.5 1.0

Iron binding site 6 out of 8 in 1o94

Go back to Iron Binding Sites List in 1o94
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:33.4
occ:1.00
 FE2 B:SF41732 0.0 33.4 1.0
S3 B:SF41732 2.1 43.4 1.0
S4 B:SF41732 2.1 49.5 1.0
S1 B:SF41732 2.3 29.5 1.0
SG B:CYS348 2.3 26.9 1.0
FE4 B:SF41732 2.7 30.3 1.0
FE3 B:SF41732 2.8 29.5 1.0
FE1 B:SF41732 2.9 28.6 1.0
N B:CYS348 3.6 22.9 1.0
CB B:CYS348 3.8 25.5 1.0
N B:ASN349 3.8 22.2 1.0
CG1 B:ILE346 4.0 22.6 1.0
OG1 B:THR365 4.0 23.2 1.0
S2 B:SF41732 4.1 28.6 1.0
CA B:CYS348 4.1 24.2 1.0
CB B:THR365 4.1 24.5 1.0
C B:CYS348 4.3 23.7 1.0
N B:VAL350 4.4 22.7 1.0
N B:THR365 4.4 21.9 1.0
N B:GLY347 4.5 24.5 1.0
N B:ILE346 4.6 25.4 1.0
SG B:CYS345 4.6 28.6 1.0
C B:GLY347 4.7 23.9 1.0
CD1 B:ILE346 4.7 23.6 1.0
CA B:ASN349 4.8 22.5 1.0
SG B:CYS351 4.8 29.2 1.0
CA B:GLY347 4.9 23.4 1.0
CA B:THR365 4.9 23.0 1.0
SG B:CYS364 4.9 22.8 1.0
CB B:VAL350 5.0 22.5 1.0
C B:ILE346 5.0 26.1 1.0

Iron binding site 7 out of 8 in 1o94

Go back to Iron Binding Sites List in 1o94
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:29.5
occ:1.00
 FE3 B:SF41732 0.0 29.5 1.0
S4 B:SF41732 1.4 49.5 1.0
S2 B:SF41732 2.3 28.6 1.0
S1 B:SF41732 2.3 29.5 1.0
FE4 B:SF41732 2.3 30.3 1.0
SG B:CYS364 2.4 22.8 1.0
FE1 B:SF41732 2.7 28.6 1.0
FE2 B:SF41732 2.8 33.4 1.0
S3 B:SF41732 3.0 43.4 1.0
CB B:CYS364 3.5 20.2 1.0
CA B:CYS364 3.8 21.9 1.0
N B:THR365 3.8 21.9 1.0
C B:CYS364 4.2 21.8 1.0
N B:GLN366 4.4 23.2 1.0
SG B:CYS351 4.5 29.2 1.0
CB B:CYS351 4.5 19.7 1.0
CG2 B:ILE325 4.5 19.6 1.0
CB B:ALA326 4.7 20.8 1.0
CA B:THR365 4.8 23.0 1.0
N B:ALA326 4.8 20.2 1.0
SG B:CYS345 4.8 28.6 1.0
CA B:ALA326 4.8 20.8 1.0
SG B:CYS348 4.9 26.9 1.0
CB B:THR365 4.9 24.5 1.0

Iron binding site 8 out of 8 in 1o94

Go back to Iron Binding Sites List in 1o94
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:30.3
occ:1.00
 FE4 B:SF41732 0.0 30.3 1.0
S3 B:SF41732 1.7 43.4 1.0
S1 B:SF41732 2.2 29.5 1.0
S2 B:SF41732 2.3 28.6 1.0
FE3 B:SF41732 2.3 29.5 1.0
SG B:CYS351 2.4 29.2 1.0
FE2 B:SF41732 2.7 33.4 1.0
FE1 B:SF41732 2.7 28.6 1.0
S4 B:SF41732 2.9 49.5 1.0
CB B:CYS351 3.2 19.7 1.0
N B:CYS351 4.0 20.9 1.0
CG B:ARG322 4.1 20.9 1.0
CA B:CYS351 4.3 22.1 1.0
SG B:CYS364 4.5 22.8 1.0
N B:ASN349 4.5 22.2 1.0
CD B:ARG322 4.6 21.7 1.0
SG B:CYS345 4.6 28.6 1.0
N B:VAL350 4.6 22.7 1.0
SG B:CYS348 4.6 26.9 1.0
CA B:ASN349 4.7 22.5 1.0
CB B:ARG322 4.7 23.0 1.0
C B:ASN349 5.0 22.1 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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy