Iron in PDB 2n0s: Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex

All present enzymatic activity of Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex:
1.18.99.1;

The binding sites of Iron atom in the Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex (pdb code 2n0s). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex, PDB code: 2n0s:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:10.0 occ:1.00 FE1 A:SF4501 0.0 10.0 1.0 S4 A:SF4501 2.2 10.0 1.0 S2 A:SF4501 2.2 10.0 1.0 S3 A:SF4501 2.2 10.0 1.0 SG A:CYS130 2.5 10.0 1.0 HD2 A:PRO131 2.6 0.0 1.0 HA A:CYS130 2.7 0.0 1.0 FE2 A:SF4501 2.9 10.0 1.0 FE3 A:SF4501 3.0 10.0 1.0 FE4 A:SF4501 3.2 10.0 1.0 CB A:CYS130 3.3 10.0 1.0 HB3 A:CYS130 3.4 0.0 1.0 HG A:CYS130 3.5 10.0 1.0 CA A:CYS130 3.5 10.0 1.0 H A:ALA376 3.6 10.0 1.0 CD A:PRO131 3.6 10.0 1.0 S1 A:SF4501 3.7 10.0 1.0 HB3 A:ALA376 3.8 0.0 1.0 HE2 A:LYS188 3.8 0.0 1.0 HD3 A:PRO131 3.8 0.0 1.0 O A:CYS129 4.2 10.0 1.0 HB2 A:CYS130 4.3 0.0 1.0 HZ1 A:LYS188 4.4 10.0 1.0 N A:CYS130 4.4 10.0 1.0 C A:CYS129 4.5 10.0 1.0 N A:PRO131 4.5 10.0 1.0 HA A:MET375 4.5 0.0 1.0 N A:ALA376 4.5 10.0 1.0 C A:CYS130 4.5 10.0 1.0 HG2 A:PRO131 4.6 0.0 1.0 CG A:PRO131 4.6 10.0 1.0 CB A:ALA376 4.7 10.0 1.0 H A:GLY132 4.7 10.0 1.0 HG A:CYS377 4.7 10.0 1.0 CE A:LYS188 4.7 10.0 1.0 HB2 A:ALA376 4.7 0.0 1.0 HG3 A:PRO131 4.9 0.0 1.0 HE3 A:LYS188 4.9 0.0 1.0 SG A:CYS377 4.9 10.0 1.0 HB2 A:CYS381 5.0 0.0 1.0

Iron binding site 2 out of 6 in the Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:10.0 occ:1.00 FE2 A:SF4501 0.0 10.0 1.0 HE2 A:LYS188 2.0 0.0 1.0 S4 A:SF4501 2.2 10.0 1.0 S1 A:SF4501 2.2 10.0 1.0 S3 A:SF4501 2.2 10.0 1.0 HG2 A:LYS188 2.8 0.0 1.0 HB2 A:CYS185 2.8 0.0 1.0 CE A:LYS188 2.9 10.0 1.0 HE3 A:LYS188 2.9 0.0 1.0 FE1 A:SF4501 2.9 10.0 1.0 FE3 A:SF4501 3.0 10.0 1.0 FE4 A:SF4501 3.2 10.0 1.0 HD2 A:PRO131 3.3 0.0 1.0 CG A:LYS188 3.5 10.0 1.0 HG3 A:LYS188 3.5 0.0 1.0 CB A:CYS185 3.7 10.0 1.0 S2 A:SF4501 3.7 10.0 1.0 HG3 A:PRO131 3.7 0.0 1.0 CD A:LYS188 3.7 10.0 1.0 HD3 A:PRO131 3.8 0.0 1.0 CD A:PRO131 3.9 10.0 1.0 HB3 A:CYS185 3.9 0.0 1.0 HZ1 A:LYS188 3.9 10.0 1.0 SG A:CYS185 3.9 10.0 1.0 HG A:CYS185 3.9 10.0 1.0 NZ A:LYS188 4.0 10.0 1.0 CG A:PRO131 4.1 10.0 1.0 HG2 A:PRO131 4.2 0.0 1.0 HD3 A:LYS188 4.2 0.0 1.0 HA A:CYS130 4.4 0.0 1.0 HD2 A:PRO184 4.4 0.0 1.0 HZ2 A:LYS188 4.5 10.0 1.0 HG2 A:PRO184 4.6 0.0 1.0 HD2 A:LYS188 4.6 0.0 1.0 HB3 A:MET183 4.8 0.0 1.0 HZ3 A:LYS188 4.8 10.0 1.0 CB A:LYS188 4.9 10.0 1.0 HB2 A:ARG187 4.9 0.0 1.0 O A:CYS129 4.9 10.0 1.0 CA A:CYS185 4.9 10.0 1.0

Iron binding site 3 out of 6 in the Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:10.0 occ:1.00 FE3 A:SF4501 0.0 10.0 1.0 S4 A:SF4501 2.1 10.0 1.0 S2 A:SF4501 2.2 10.0 1.0 S1 A:SF4501 2.2 10.0 1.0 HG A:CYS377 2.4 10.0 1.0 HG A:CYS185 2.5 10.0 1.0 SG A:CYS185 2.5 10.0 1.0 SG A:CYS377 2.6 10.0 1.0 FE1 A:SF4501 3.0 10.0 1.0 FE2 A:SF4501 3.0 10.0 1.0 FE4 A:SF4501 3.3 10.0 1.0 HB2 A:CYS185 3.6 0.0 1.0 CB A:CYS185 3.7 10.0 1.0 HB3 A:ALA376 3.8 0.0 1.0 S3 A:SF4501 3.8 10.0 1.0 HA A:CYS381 4.0 0.0 1.0 HB3 A:CYS185 4.0 0.0 1.0 CB A:CYS377 4.3 10.0 1.0 HA3 A:GLY384 4.3 0.0 1.0 HG2 A:PRO184 4.4 0.0 1.0 H A:ALA376 4.5 10.0 1.0 HB2 A:CYS377 4.5 0.0 1.0 HA2 A:GLY384 4.5 0.0 1.0 HD2 A:PRO131 4.6 0.0 1.0 SG A:CYS381 4.7 10.0 1.0 N A:CYS377 4.7 10.0 1.0 HB2 A:CYS381 4.8 0.0 1.0 C A:ALA376 4.9 10.0 1.0 H A:CYS377 4.9 10.0 1.0 CB A:ALA376 4.9 10.0 1.0 CA A:CYS381 4.9 10.0 1.0 CA A:GLY384 4.9 10.0 1.0 HE2 A:LYS188 4.9 0.0 1.0 O A:CYS381 5.0 10.0 1.0 HB3 A:CYS377 5.0 0.0 1.0 CA A:CYS377 5.0 10.0 1.0

Iron binding site 4 out of 6 in the Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:10.0 occ:1.00 FE4 A:SF4501 0.0 10.0 1.0 S3 A:SF4501 2.1 10.0 1.0 S2 A:SF4501 2.2 10.0 1.0 S1 A:SF4501 2.2 10.0 1.0 SG A:CYS381 2.5 10.0 1.0 HB2 A:CYS381 2.8 0.0 1.0 FE2 A:SF4501 3.2 10.0 1.0 FE1 A:SF4501 3.2 10.0 1.0 CB A:CYS381 3.2 10.0 1.0 FE3 A:SF4501 3.3 10.0 1.0 HG A:CYS381 3.5 10.0 1.0 HA A:CYS381 3.7 0.0 1.0 S4 A:SF4501 4.0 10.0 1.0 HB3 A:CYS381 4.1 0.0 1.0 CA A:CYS381 4.1 10.0 1.0 HG2 A:PRO184 4.1 0.0 1.0 HG A:CYS185 4.4 10.0 1.0 HE3 A:LYS188 4.5 0.0 1.0 HE2 A:LYS188 4.5 0.0 1.0 O A:CYS381 4.7 10.0 1.0 HD2 A:PRO184 4.8 0.0 1.0 HG3 A:PRO184 4.9 0.0 1.0 C A:CYS381 4.9 10.0 1.0 CG A:PRO184 4.9 10.0 1.0 SG A:CYS377 4.9 10.0 1.0 SG A:CYS130 5.0 10.0 1.0 CE A:LYS188 5.0 10.0 1.0

Iron binding site 5 out of 6 in the Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:10.0 occ:1.00 FE1 B:FES101 0.0 10.0 1.0 S1 B:FES101 2.2 10.0 1.0 S2 B:FES101 2.2 10.0 1.0 HG B:CYS37 2.3 10.0 1.0 HG B:CYS42 2.4 10.0 1.0 SG B:CYS37 2.5 10.0 1.0 SG B:CYS42 2.5 10.0 1.0 HB3 A:PRO378 2.8 0.0 1.0 FE2 B:FES101 3.1 10.0 1.0 H B:CYS37 3.1 10.0 1.0 H B:CYS42 3.5 10.0 1.0 HG3 A:PRO378 3.5 0.0 1.0 H B:ARG38 3.6 10.0 1.0 HG B:CYS45 3.7 10.0 1.0 SG B:CYS45 3.7 10.0 1.0 HB3 B:ALA41 3.8 0.0 1.0 CB A:PRO378 3.8 10.0 1.0 HB2 B:SER36 4.0 0.0 1.0 HD3 A:PRO378 4.0 0.0 1.0 H B:SER36 4.0 10.0 1.0 N B:CYS37 4.0 10.0 1.0 CB B:CYS37 4.1 10.0 1.0 CG A:PRO378 4.1 10.0 1.0 HB2 B:PRO34 4.2 0.0 1.0 O B:PRO34 4.2 10.0 1.0 CB B:CYS42 4.3 10.0 1.0 HB2 A:PRO378 4.3 0.0 1.0 HB3 B:CYS37 4.4 0.0 1.0 N B:CYS42 4.4 10.0 1.0 HA B:TYR35 4.4 0.0 1.0 N B:ARG38 4.5 10.0 1.0 N B:SER36 4.6 10.0 1.0 H B:ALA41 4.6 10.0 1.0 CD A:PRO378 4.6 10.0 1.0 CA B:CYS37 4.6 10.0 1.0 HB2 B:CYS42 4.7 0.0 1.0 HB2 B:CYS45 4.7 0.0 1.0 HA A:PRO378 4.8 0.0 1.0 HB2 B:CYS37 4.8 0.0 1.0 HB3 B:CYS42 4.8 0.0 1.0 CA A:PRO378 4.9 10.0 1.0 CB B:ALA41 4.9 10.0 1.0 CA B:CYS42 4.9 10.0 1.0 C B:PRO34 4.9 10.0 1.0 CB B:CYS45 4.9 10.0 1.0 CB B:SER36 5.0 10.0 1.0 SG B:CYS75 5.0 10.0 1.0

Iron binding site 6 out of 6 in the Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Haddock Model of Ferredoxin and [Fefe] Hydrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:10.0 occ:1.00 FE2 B:FES101 0.0 10.0 1.0 HG B:CYS45 2.1 10.0 1.0 S1 B:FES101 2.2 10.0 1.0 S2 B:FES101 2.2 10.0 1.0 SG B:CYS75 2.5 10.0 1.0 SG B:CYS45 2.5 10.0 1.0 HG B:CYS75 2.6 10.0 1.0 HB3 B:CYS45 2.8 0.0 1.0 HB2 B:CYS45 2.8 0.0 1.0 CB B:CYS45 2.8 10.0 1.0 O B:PRO34 3.0 10.0 1.0 HG B:LEU23 3.1 0.0 1.0 FE1 B:FES101 3.1 10.0 1.0 HD11 B:LEU23 3.6 0.0 1.0 HA B:TYR35 3.7 0.0 1.0 HG B:CYS42 3.9 10.0 1.0 CG B:LEU23 4.0 10.0 1.0 HD21 B:LEU23 4.0 0.0 1.0 CB B:CYS75 4.0 10.0 1.0 HB3 B:CYS75 4.0 0.0 1.0 H B:ARG38 4.1 10.0 1.0 CD1 B:LEU23 4.2 10.0 1.0 C B:PRO34 4.2 10.0 1.0 HD12 B:LEU23 4.2 0.0 1.0 HA B:ARG38 4.3 0.0 1.0 HB2 B:PRO34 4.3 0.0 1.0 CA B:CYS45 4.4 10.0 1.0 H B:SER36 4.4 10.0 1.0 CD2 B:LEU23 4.4 10.0 1.0 HD2 B:PRO34 4.5 0.0 1.0 HB2 B:CYS75 4.5 0.0 1.0 SG B:CYS37 4.6 10.0 1.0 SG B:CYS42 4.6 10.0 1.0 CA B:TYR35 4.7 10.0 1.0 HD23 B:LEU23 4.7 0.0 1.0 HA B:CYS45 4.8 0.0 1.0 H B:CYS45 4.9 10.0 1.0 N B:ARG38 4.9 10.0 1.0 N B:TYR35 4.9 10.0 1.0 H B:CYS37 4.9 10.0 1.0 HA B:CYS75 5.0 0.0 1.0 O B:CYS45 5.0 10.0 1.0

S.Rumpel, J.F.Siebel, M.Diallo, C.Fares, E.J.Reijerse, W.Lubitz. Structural Insight Into the Complex of Ferredoxin and [Fefe] Hydrogenase From Chlamydomonas Reinhardtii. Chembiochem V. 16 1663 2015.
ISSN: ISSN 1439-4227
PubMed: 26010059
DOI: 10.1002/CBIC.201500130