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

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 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 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 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 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 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

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