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Iron in PDB 1dwl: The Ferredoxin-Cytochrome Complex Using Heteronuclear uc(Nmr) and Docking Simulation

Iron Binding Sites:

The binding sites of Iron atom in the The Ferredoxin-Cytochrome Complex Using Heteronuclear uc(Nmr) and Docking Simulation (pdb code 1dwl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the The Ferredoxin-Cytochrome Complex Using Heteronuclear uc(Nmr) and Docking Simulation, PDB code: 1dwl:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in 1dwl

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Iron binding site 1 out of 5 in the The Ferredoxin-Cytochrome Complex Using Heteronuclear uc(Nmr) and Docking Simulation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Ferredoxin-Cytochrome Complex Using Heteronuclear uc(Nmr) and Docking Simulation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe60

b:1.0
occ:1.00
FE1 A:SF460 0.0 1.0 1.0
S4 A:SF460 2.3 1.0 1.0
S3 A:SF460 2.3 1.0 1.0
S2 A:SF460 2.3 1.0 1.0
SG A:CYS9 2.3 1.0 1.0
FE4 A:SF460 2.5 1.0 1.0
FE3 A:SF460 2.5 1.0 1.0
FE2 A:SF460 2.6 1.0 1.0
CB A:CYS9 3.4 1.0 1.0
CA A:CYS9 3.7 1.0 1.0
O A:GLU8 3.8 1.0 1.0
S1 A:SF460 3.8 1.0 1.0
O A:GLY11 3.9 1.0 1.0
CB A:ALA32 4.4 1.0 1.0
OD1 A:ASP27 4.5 1.0 1.0
N A:CYS9 4.5 1.0 1.0
H A:ILE10 4.5 0.0 1.0
SG A:CYS12 4.5 1.0 1.0
C A:GLU8 4.6 1.0 1.0
H A:GLU13 4.6 0.0 1.0
SG A:CYS15 4.6 1.0 1.0
SG A:CYS51 4.7 1.0 1.0
N A:CYS12 4.9 1.0 1.0
C A:CYS9 5.0 1.0 1.0
O A:ALA50 5.0 1.0 1.0

Iron binding site 2 out of 5 in 1dwl

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Iron binding site 2 out of 5 in the The Ferredoxin-Cytochrome Complex Using Heteronuclear uc(Nmr) and Docking Simulation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Ferredoxin-Cytochrome Complex Using Heteronuclear uc(Nmr) and Docking Simulation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe60

b:1.0
occ:1.00
FE2 A:SF460 0.0 1.0 1.0
S1 A:SF460 2.3 1.0 1.0
S3 A:SF460 2.3 1.0 1.0
S4 A:SF460 2.3 1.0 1.0
SG A:CYS51 2.3 1.0 1.0
FE4 A:SF460 2.6 1.0 1.0
FE1 A:SF460 2.6 1.0 1.0
FE3 A:SF460 2.6 1.0 1.0
O A:ALA50 3.4 1.0 1.0
CB A:CYS51 3.6 1.0 1.0
CA A:CYS51 3.7 1.0 1.0
O A:ALA47 3.8 1.0 1.0
S2 A:SF460 3.9 1.0 1.0
C A:ALA50 4.0 1.0 1.0
N A:CYS51 4.0 1.0 1.0
CD1 A:ILE56 4.6 1.0 1.0
SG A:CYS12 4.6 1.0 1.0
O A:GLU8 4.7 1.0 1.0
SG A:CYS9 4.7 1.0 1.0
SG A:CYS15 4.7 1.0 1.0
H A:CYS51 5.0 0.0 1.0
C A:ALA47 5.0 1.0 1.0

Iron binding site 3 out of 5 in 1dwl

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Iron binding site 3 out of 5 in the The Ferredoxin-Cytochrome Complex Using Heteronuclear uc(Nmr) and Docking Simulation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Ferredoxin-Cytochrome Complex Using Heteronuclear uc(Nmr) and Docking Simulation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe60

b:1.0
occ:1.00
FE3 A:SF460 0.0 1.0 1.0
S1 A:SF460 2.3 1.0 1.0
S4 A:SF460 2.3 1.0 1.0
S2 A:SF460 2.3 1.0 1.0
SG A:CYS15 2.3 1.0 1.0
FE1 A:SF460 2.5 1.0 1.0
FE2 A:SF460 2.6 1.0 1.0
FE4 A:SF460 2.6 1.0 1.0
H A:CYS15 3.5 0.0 1.0
CB A:CYS15 3.6 1.0 1.0
OG A:SER14 3.6 1.0 1.0
S3 A:SF460 3.9 1.0 1.0
HG A:SER14 4.0 0.0 1.0
H A:GLU13 4.0 0.0 1.0
N A:CYS15 4.3 1.0 1.0
SG A:CYS9 4.6 1.0 1.0
CA A:CYS15 4.6 1.0 1.0
CB A:SER14 4.7 1.0 1.0
CE2 A:PHE23 4.7 1.0 1.0
SG A:CYS51 4.7 1.0 1.0
SG A:CYS12 4.7 1.0 1.0
CB A:ALA32 4.8 1.0 1.0
C A:SER14 4.9 1.0 1.0
CD2 A:PHE23 4.9 1.0 1.0
N A:SER14 4.9 1.0 1.0

Iron binding site 4 out of 5 in 1dwl

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Iron binding site 4 out of 5 in the The Ferredoxin-Cytochrome Complex Using Heteronuclear uc(Nmr) and Docking Simulation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Ferredoxin-Cytochrome Complex Using Heteronuclear uc(Nmr) and Docking Simulation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe60

b:1.0
occ:1.00
FE4 A:SF460 0.0 1.0 1.0
SG A:CYS12 2.3 1.0 1.0
S3 A:SF460 2.3 1.0 1.0
S1 A:SF460 2.3 1.0 1.0
S2 A:SF460 2.3 1.0 1.0
FE1 A:SF460 2.5 1.0 1.0
FE2 A:SF460 2.6 1.0 1.0
FE3 A:SF460 2.6 1.0 1.0
O A:ALA50 3.1 1.0 1.0
OG A:SER14 3.2 1.0 1.0
CB A:CYS12 3.4 1.0 1.0
O A:GLY11 3.5 1.0 1.0
HG A:SER14 3.6 0.0 1.0
S4 A:SF460 3.9 1.0 1.0
N A:CYS12 3.9 1.0 1.0
H A:GLU13 3.9 0.0 1.0
CA A:CYS12 4.2 1.0 1.0
C A:ALA50 4.2 1.0 1.0
C A:GLY11 4.4 1.0 1.0
H A:ILE10 4.5 0.0 1.0
CB A:SER14 4.5 1.0 1.0
SG A:CYS9 4.6 1.0 1.0
SG A:CYS51 4.7 1.0 1.0
N A:GLU13 4.7 1.0 1.0
H A:CYS15 4.7 0.0 1.0
SG A:CYS15 4.7 1.0 1.0
CB A:ALA50 4.7 1.0 1.0
C A:CYS12 4.8 1.0 1.0
CA A:CYS51 4.8 1.0 1.0
N A:CYS51 4.9 1.0 1.0
CB A:CYS9 4.9 1.0 1.0
CA A:CYS9 4.9 1.0 1.0

Iron binding site 5 out of 5 in 1dwl

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Iron binding site 5 out of 5 in the The Ferredoxin-Cytochrome Complex Using Heteronuclear uc(Nmr) and Docking Simulation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The Ferredoxin-Cytochrome Complex Using Heteronuclear uc(Nmr) and Docking Simulation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe80

b:1.0
occ:1.00
FE B:HEC80 0.0 1.0 1.0
NA B:HEC80 2.0 1.0 1.0
NC B:HEC80 2.0 1.0 1.0
ND B:HEC80 2.0 1.0 1.0
NB B:HEC80 2.0 1.0 1.0
NE2 B:HIS14 2.2 1.0 1.0
SD B:MET57 2.3 1.0 1.0
C1C B:HEC80 3.0 1.0 1.0
C4A B:HEC80 3.0 1.0 1.0
C1D B:HEC80 3.0 1.0 1.0
C4C B:HEC80 3.0 1.0 1.0
C1B B:HEC80 3.0 1.0 1.0
C1A B:HEC80 3.0 1.0 1.0
C4D B:HEC80 3.0 1.0 1.0
C4B B:HEC80 3.0 1.0 1.0
CE1 B:HIS14 3.2 1.0 1.0
CD2 B:HIS14 3.2 1.0 1.0
CHC B:HEC80 3.4 1.0 1.0
CHB B:HEC80 3.4 1.0 1.0
CHD B:HEC80 3.4 1.0 1.0
CHA B:HEC80 3.4 1.0 1.0
CE B:MET57 3.6 1.0 1.0
CG B:MET57 3.6 1.0 1.0
C2C B:HEC80 4.2 1.0 1.0
C3A B:HEC80 4.2 1.0 1.0
C2B B:HEC80 4.2 1.0 1.0
C2D B:HEC80 4.2 1.0 1.0
C2A B:HEC80 4.2 1.0 1.0
C3D B:HEC80 4.2 1.0 1.0
C3C B:HEC80 4.3 1.0 1.0
C3B B:HEC80 4.3 1.0 1.0
ND1 B:HIS14 4.3 1.0 1.0
CG B:HIS14 4.3 1.0 1.0
HHC B:HEC80 4.4 0.0 1.0
HHD B:HEC80 4.5 0.0 1.0
HHB B:HEC80 4.5 0.0 1.0
HHA B:HEC80 4.5 0.0 1.0
CB B:MET57 5.0 1.0 1.0

Reference:

X.Morelli, A.Dolla, M.Czjzek, P.N.Palma, F.Blasco, L.Krippahl, J.J.G.Moura, F.Guerlesquin. Heteronuclear uc(Nmr) and Soft Docking: An Experimental Approach For A Structural Model of the Cytochrome C553-Ferredoxin Complex Biochemistry V. 39 2530 2000.
ISSN: ISSN 0006-2960
PubMed: 10704202
DOI: 10.1021/BI992306S
Page generated: Wed Jul 16 13:29:07 2025

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