Iron in PDB 1e08: Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking

The structure of Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Iron atom in the Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking (pdb code 1e08). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 15 binding sites of Iron where determined in the Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking, PDB code: 1e08:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 15 in the Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1 b:1.0 occ:1.00 FE1 A:SF41 0.0 1.0 1.0 SG A:CYS76 2.2 1.0 1.0 S3 A:SF41 2.3 1.0 1.0 S4 A:SF41 2.3 1.0 1.0 S2 A:SF41 2.3 1.0 1.0 FE3 A:SF41 2.5 1.0 1.0 FE2 A:SF41 2.6 1.0 1.0 FE4 A:SF41 2.6 1.0 1.0 CB A:CYS76 3.2 1.0 1.0 O A:LYS34 3.6 1.0 1.0 S1 A:SF41 3.9 1.0 1.0 CA A:CYS76 4.2 1.0 1.0 CD1 A:ILE81 4.3 1.0 1.0 H A:ILE36 4.3 0.0 1.0 CG1 A:ILE81 4.3 1.0 1.0 CA A:CYS35 4.4 1.0 1.0 SG A:CYS38 4.5 1.0 1.0 SG A:CYS35 4.6 1.0 1.0 SG A:CYS41 4.7 1.0 1.0 C A:LYS34 4.7 1.0 1.0 N A:CYS76 4.7 1.0 1.0 CB A:CYS35 4.8 1.0 1.0 O A:HIS75 4.8 1.0 1.0

Iron binding site 2 out of 15 in the Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1 b:1.0 occ:1.00 FE2 A:SF41 0.0 1.0 1.0 SG A:CYS38 2.2 1.0 1.0 S3 A:SF41 2.3 1.0 1.0 S4 A:SF41 2.3 1.0 1.0 S1 A:SF41 2.3 1.0 1.0 FE3 A:SF41 2.5 1.0 1.0 FE1 A:SF41 2.6 1.0 1.0 FE4 A:SF41 2.6 1.0 1.0 H A:ASP39 2.9 0.0 1.0 CB A:CYS38 3.2 1.0 1.0 O A:GLY37 3.4 1.0 1.0 N A:ASP39 3.6 1.0 1.0 O A:ASP39 3.8 1.0 1.0 S2 A:SF41 3.9 1.0 1.0 CA A:CYS38 4.2 1.0 1.0 H A:CYS41 4.2 0.0 1.0 C A:CYS38 4.2 1.0 1.0 CA A:ASP39 4.3 1.0 1.0 C A:GLY37 4.3 1.0 1.0 H A:ILE36 4.3 0.0 1.0 C A:ASP39 4.4 1.0 1.0 SG A:CYS76 4.5 1.0 1.0 SG A:CYS41 4.5 1.0 1.0 SG A:CYS35 4.6 1.0 1.0 N A:CYS38 4.6 1.0 1.0 CB A:CYS41 4.8 1.0 1.0 O A:HIS75 4.8 1.0 1.0

Iron binding site 3 out of 15 in the Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1 b:1.0 occ:1.00 FE3 A:SF41 0.0 1.0 1.0 SG A:CYS35 2.3 1.0 1.0 S1 A:SF41 2.3 1.0 1.0 S2 A:SF41 2.3 1.0 1.0 S4 A:SF41 2.3 1.0 1.0 FE2 A:SF41 2.5 1.0 1.0 FE1 A:SF41 2.5 1.0 1.0 FE4 A:SF41 2.6 1.0 1.0 O A:GLY37 3.2 1.0 1.0 CB A:CYS35 3.2 1.0 1.0 CA A:CYS35 3.4 1.0 1.0 H A:ILE36 3.7 0.0 1.0 S3 A:SF41 3.8 1.0 1.0 H A:ASP39 3.9 0.0 1.0 C A:CYS35 4.1 1.0 1.0 N A:ILE36 4.2 1.0 1.0 O A:LYS34 4.3 1.0 1.0 HD1 A:HIS58 4.3 0.0 1.0 ND1 A:HIS58 4.3 1.0 1.0 C A:GLY37 4.4 1.0 1.0 CB A:HIS58 4.5 1.0 1.0 SG A:CYS38 4.5 1.0 1.0 CG A:HIS58 4.6 1.0 1.0 SG A:CYS76 4.6 1.0 1.0 SG A:CYS41 4.6 1.0 1.0 N A:CYS35 4.6 1.0 1.0 H A:GLY37 4.6 0.0 1.0 N A:ASP39 4.8 1.0 1.0 CB A:CYS38 4.8 1.0 1.0 CE1 A:HIS58 4.9 1.0 1.0 H A:HIS58 4.9 0.0 1.0 C A:LYS34 4.9 1.0 1.0 O A:GLU56 5.0 1.0 1.0

Iron binding site 4 out of 15 in the Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1 b:1.0 occ:1.00 FE4 A:SF41 0.0 1.0 1.0 SG A:CYS41 2.3 1.0 1.0 S1 A:SF41 2.3 1.0 1.0 S3 A:SF41 2.3 1.0 1.0 S2 A:SF41 2.3 1.0 1.0 FE3 A:SF41 2.6 1.0 1.0 FE2 A:SF41 2.6 1.0 1.0 FE1 A:SF41 2.6 1.0 1.0 CB A:CYS41 3.2 1.0 1.0 CD1 A:ILE81 3.8 1.0 1.0 H A:CYS41 3.8 0.0 1.0 S4 A:SF41 3.9 1.0 1.0 H A:ASP39 4.3 0.0 1.0 H A:SER42 4.3 0.0 1.0 CA A:CYS41 4.4 1.0 1.0 OG A:SER42 4.5 1.0 1.0 SG A:CYS38 4.5 1.0 1.0 SG A:CYS35 4.5 1.0 1.0 N A:CYS41 4.5 1.0 1.0 HG A:SER42 4.6 0.0 1.0 SG A:CYS76 4.6 1.0 1.0 CG1 A:ILE81 4.7 1.0 1.0 O A:ASP39 4.8 1.0 1.0 CB A:CYS76 4.9 1.0 1.0 O A:GLY37 4.9 1.0 1.0

Iron binding site 5 out of 15 in the Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2 b:1.0 occ:1.00 FE1 A:SF42 0.0 1.0 1.0 SG A:CYS72 2.2 1.0 1.0 S2 A:SF42 2.3 1.0 1.0 S3 A:SF42 2.3 1.0 1.0 S4 A:SF42 2.3 1.0 1.0 FE2 A:SF42 2.5 1.0 1.0 FE3 A:SF42 2.6 1.0 1.0 FE4 A:SF42 2.6 1.0 1.0 O A:VAL28 3.2 1.0 1.0 CB A:CYS72 3.3 1.0 1.0 O A:GLY70 3.5 1.0 1.0 H A:CYS72 3.6 0.0 1.0 S1 A:SF42 3.9 1.0 1.0 H A:GLY70 4.0 0.0 1.0 N A:CYS72 4.0 1.0 1.0 CA A:CYS72 4.3 1.0 1.0 CG1 A:VAL28 4.3 1.0 1.0 SG A:CYS66 4.4 1.0 1.0 C A:VAL28 4.5 1.0 1.0 C A:GLY70 4.5 1.0 1.0 SG A:CYS69 4.6 1.0 1.0 SG A:CYS45 4.7 1.0 1.0 N A:GLY70 4.8 1.0 1.0 CD1 A:ILE50 5.0 1.0 1.0 O A:TYR44 5.0 1.0 1.0

Iron binding site 6 out of 15 in the Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2 b:1.0 occ:1.00 FE2 A:SF42 0.0 1.0 1.0 SG A:CYS66 2.2 1.0 1.0 S4 A:SF42 2.3 1.0 1.0 S3 A:SF42 2.3 1.0 1.0 S1 A:SF42 2.3 1.0 1.0 FE1 A:SF42 2.5 1.0 1.0 FE4 A:SF42 2.5 1.0 1.0 FE3 A:SF42 2.6 1.0 1.0 CB A:CYS66 3.3 1.0 1.0 S2 A:SF42 3.8 1.0 1.0 O A:VAL28 3.8 1.0 1.0 CG1 A:VAL28 4.0 1.0 1.0 CA A:CYS66 4.0 1.0 1.0 H A:ASN68 4.1 0.0 1.0 H A:CYS69 4.1 0.0 1.0 O A:PHE27 4.1 1.0 1.0 H A:GLY70 4.2 0.0 1.0 H1 A:PHE27 4.3 0.0 1.0 N A:VAL28 4.3 1.0 1.0 N A:CYS69 4.5 1.0 1.0 N A:ASN68 4.5 1.0 1.0 SG A:CYS45 4.5 1.0 1.0 C A:CYS66 4.6 1.0 1.0 SG A:CYS69 4.6 1.0 1.0 SG A:CYS72 4.6 1.0 1.0 CA A:ASN68 4.6 1.0 1.0 C A:PHE27 4.7 1.0 1.0 C A:VAL28 4.7 1.0 1.0 H A:ILE67 4.7 0.0 1.0 N A:ILE67 4.8 1.0 1.0 CA A:VAL28 4.9 1.0 1.0 C A:ASN68 4.9 1.0 1.0 CB A:VAL28 5.0 1.0 1.0 H2 A:PHE27 5.0 0.0 1.0

Iron binding site 7 out of 15 in the Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2 b:1.0 occ:1.00 FE3 A:SF42 0.0 1.0 1.0 SG A:CYS69 2.3 1.0 1.0 S2 A:SF42 2.3 1.0 1.0 S1 A:SF42 2.3 1.0 1.0 S4 A:SF42 2.3 1.0 1.0 FE2 A:SF42 2.6 1.0 1.0 FE4 A:SF42 2.6 1.0 1.0 FE1 A:SF42 2.6 1.0 1.0 O A:GLY70 3.1 1.0 1.0 H A:GLY70 3.2 0.0 1.0 O A:TYR44 3.3 1.0 1.0 CB A:CYS69 3.4 1.0 1.0 H A:CYS69 3.8 0.0 1.0 N A:GLY70 3.8 1.0 1.0 N A:CYS69 3.9 1.0 1.0 S3 A:SF42 3.9 1.0 1.0 CA A:CYS69 4.0 1.0 1.0 C A:GLY70 4.2 1.0 1.0 C A:CYS69 4.3 1.0 1.0 H A:CYS72 4.3 0.0 1.0 C A:TYR44 4.4 1.0 1.0 SG A:CYS66 4.5 1.0 1.0 SG A:CYS72 4.6 1.0 1.0 SG A:CYS45 4.6 1.0 1.0 CA A:GLY70 4.7 1.0 1.0 CA A:CYS45 4.9 1.0 1.0 C A:ASN68 4.9 1.0 1.0 N A:CYS72 4.9 1.0 1.0

Iron binding site 8 out of 15 in the Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2 b:1.0 occ:1.00 FE4 A:SF42 0.0 1.0 1.0 SG A:CYS45 2.3 1.0 1.0 S2 A:SF42 2.3 1.0 1.0 S3 A:SF42 2.3 1.0 1.0 S1 A:SF42 2.3 1.0 1.0 FE2 A:SF42 2.5 1.0 1.0 FE3 A:SF42 2.6 1.0 1.0 FE1 A:SF42 2.6 1.0 1.0 CB A:CYS45 3.3 1.0 1.0 O A:TYR44 3.3 1.0 1.0 CA A:CYS45 3.7 1.0 1.0 S4 A:SF42 3.9 1.0 1.0 C A:TYR44 3.9 1.0 1.0 N A:CYS45 4.0 1.0 1.0 CD1 A:ILE50 4.2 1.0 1.0 SG A:CYS66 4.5 1.0 1.0 CG1 A:ILE50 4.5 1.0 1.0 SG A:CYS72 4.6 1.0 1.0 SG A:CYS69 4.6 1.0 1.0 CB A:CYS72 4.8 1.0 1.0 H A:CYS45 4.8 0.0 1.0 CB A:CYS66 4.8 1.0 1.0

Iron binding site 9 out of 15 in the Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3 b:1.0 occ:1.00 FE1 A:SF43 0.0 1.0 1.0 SG A:CYS234 2.3 1.0 1.0 S4 A:SF43 2.3 1.0 1.0 S2 A:SF43 2.3 1.0 1.0 S3 A:SF43 2.3 1.0 1.0 FE3 A:SF43 2.5 1.0 1.0 FE4 A:SF43 2.6 1.0 1.0 FE2 A:SF43 2.6 1.0 1.0 O A:CYS69 3.1 1.0 1.0 CB A:CYS234 3.2 1.0 1.0 S1 A:SF43 3.8 1.0 1.0 C A:CYS69 4.2 1.0 1.0 CA A:CYS234 4.4 1.0 1.0 SG A:CYS378 4.5 1.0 1.0 SG A:CYS179 4.6 1.0 1.0 CA A:CYS69 4.6 1.0 1.0 SG A:CYS382 4.7 1.0 1.0 CD A:PRO180 4.7 1.0 1.0 H A:GLY181 4.8 0.0 1.0 CE A:LYS237 5.0 1.0 1.0

Iron binding site 10 out of 15 in the Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3 b:1.0 occ:1.00 FE2 A:SF43 0.0 1.0 1.0 S4 A:SF43 2.3 1.0 1.0 SG A:CYS179 2.3 1.0 1.0 S3 A:SF43 2.3 1.0 1.0 S1 A:SF43 2.3 1.0 1.0 FE4 A:SF43 2.5 1.0 1.0 FE1 A:SF43 2.6 1.0 1.0 FE3 A:SF43 2.6 1.0 1.0 CB A:CYS179 3.5 1.0 1.0 H A:ALA377 3.7 0.0 1.0 S2 A:SF43 3.9 1.0 1.0 SD A:MET376 4.0 1.0 1.0 CA A:CYS179 4.0 1.0 1.0 H A:CYS378 4.2 0.0 1.0 CB A:ALA377 4.2 1.0 1.0 N A:ALA377 4.4 1.0 1.0 H A:GLY181 4.5 0.0 1.0 SG A:CYS382 4.6 1.0 1.0 C A:CYS179 4.6 1.0 1.0 SG A:CYS378 4.6 1.0 1.0 SG A:CYS234 4.7 1.0 1.0 N A:CYS378 4.7 1.0 1.0 CD A:PRO180 4.7 1.0 1.0 CE A:MET376 4.7 1.0 1.0 N A:PRO180 4.8 1.0 1.0 CA A:ALA377 4.9 1.0 1.0 O A:CYS69 4.9 1.0 1.0 CG A:MET376 5.0 1.0 1.0

X.Morelli, M.Czjzek, C.E.Hatchikian, O.Bornet, J.C.Fontecilla-Camps, N.P.Palma, J.J.Moura, F.Guerlesquin. Structural Model of the Fe-Hydrogenase/Cytochrome C553 Complex Combining Transverse Relaxation-Optimized Spectroscopy Experiments and Soft Docking Calculations. J.Biol.Chem. V. 275 23204 2000.
ISSN: ISSN 0021-9258
PubMed: 10748163
DOI: 10.1074/JBC.M909835199