Iron in PDB 9nez: Structure of the Pyrococcus Furiosus Shi Complex

All present enzymatic activity of Structure of the Pyrococcus Furiosus Shi Complex:
1.12.1.3; 1.12.98.4;

The structure of Structure of the Pyrococcus Furiosus Shi Complex also contains other interesting chemical elements:

Nickel

(Ni)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 62;

Binding sites:

The binding sites of Iron atom in the Structure of the Pyrococcus Furiosus Shi Complex (pdb code 9nez). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 62 binding sites of Iron where determined in the Structure of the Pyrococcus Furiosus Shi Complex, PDB code: 9nez:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 62 in the Structure of the Pyrococcus Furiosus Shi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Pyrococcus Furiosus Shi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:41.0 occ:1.00 FE1 A:SF4301 0.0 41.0 1.0 SG A:CYS86 2.3 34.1 1.0 S4 A:SF4301 2.3 41.0 1.0 S3 A:SF4301 2.3 41.0 1.0 S2 A:SF4301 2.3 41.0 1.0 FE2 A:SF4301 2.7 41.0 1.0 FE4 A:SF4301 2.7 41.0 1.0 FE3 A:SF4301 2.7 41.0 1.0 CB A:CYS86 3.5 34.1 1.0 S1 A:SF4301 3.9 41.0 1.0 N A:CYS86 4.2 34.1 1.0 SG A:CYS136 4.5 35.8 1.0 CA A:CYS86 4.5 34.1 1.0 OE1 A:GLU58 4.5 43.4 1.0 NE2 D:HIS160 4.6 45.2 1.0 SG A:CYS14 4.6 49.5 1.0 SG A:CYS17 4.6 44.8 1.0 NE2 A:GLN93 4.9 48.3 1.0

Iron binding site 2 out of 62 in the Structure of the Pyrococcus Furiosus Shi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Pyrococcus Furiosus Shi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:41.0 occ:1.00 FE2 A:SF4301 0.0 41.0 1.0 SG A:CYS136 2.3 35.8 1.0 S4 A:SF4301 2.3 41.0 1.0 S1 A:SF4301 2.3 41.0 1.0 S3 A:SF4301 2.3 41.0 1.0 FE3 A:SF4301 2.7 41.0 1.0 FE1 A:SF4301 2.7 41.0 1.0 FE4 A:SF4301 2.7 41.0 1.0 CB A:CYS136 3.2 35.8 1.0 CA A:CYS136 3.2 35.8 1.0 CD2 D:HIS160 3.3 45.2 1.0 NE2 D:HIS160 3.3 45.2 1.0 C A:CYS136 3.6 35.8 1.0 S2 A:SF4301 3.9 41.0 1.0 N A:PRO137 4.0 35.8 1.0 O A:CYS136 4.1 35.8 1.0 CA A:PRO137 4.3 35.8 1.0 N A:CYS136 4.6 35.8 1.0 SG A:CYS86 4.6 34.1 1.0 O A:GLY135 4.6 30.8 1.0 CE1 D:HIS160 4.6 45.2 1.0 CG D:HIS160 4.7 45.2 1.0 SG A:CYS17 4.7 44.8 1.0 SG A:CYS14 4.9 49.5 1.0 CG D:ARG63 5.0 47.8 1.0 CD A:PRO137 5.0 35.8 1.0

Iron binding site 3 out of 62 in the Structure of the Pyrococcus Furiosus Shi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Pyrococcus Furiosus Shi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:41.0 occ:1.00 FE3 A:SF4301 0.0 41.0 1.0 NE2 D:HIS160 2.1 45.2 1.0 SG A:CYS14 2.3 49.5 1.0 S1 A:SF4301 2.3 41.0 1.0 S4 A:SF4301 2.3 41.0 1.0 S2 A:SF4301 2.3 41.0 1.0 FE2 A:SF4301 2.7 41.0 1.0 FE4 A:SF4301 2.7 41.0 1.0 FE1 A:SF4301 2.7 41.0 1.0 CE1 D:HIS160 3.0 45.2 1.0 CD2 D:HIS160 3.2 45.2 1.0 CB A:CYS14 3.6 49.5 1.0 S3 A:SF4301 3.9 41.0 1.0 ND1 D:HIS160 4.2 45.2 1.0 N A:GLY16 4.2 45.7 1.0 CG D:HIS160 4.3 45.2 1.0 CA A:GLY16 4.3 45.7 1.0 N A:CYS14 4.4 49.5 1.0 CA A:CYS14 4.5 49.5 1.0 SG A:CYS136 4.5 35.8 1.0 CG D:ARG63 4.7 47.8 1.0 SG A:CYS86 4.8 34.1 1.0 C A:CYS14 4.9 49.5 1.0 SG A:CYS17 4.9 44.8 1.0

Iron binding site 4 out of 62 in the Structure of the Pyrococcus Furiosus Shi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the Pyrococcus Furiosus Shi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:41.0 occ:1.00 FE4 A:SF4301 0.0 41.0 1.0 S2 A:SF4301 2.3 41.0 1.0 S3 A:SF4301 2.3 41.0 1.0 SG A:CYS17 2.3 44.8 1.0 S1 A:SF4301 2.3 41.0 1.0 FE1 A:SF4301 2.7 41.0 1.0 FE2 A:SF4301 2.7 41.0 1.0 FE3 A:SF4301 2.7 41.0 1.0 N A:CYS17 3.7 44.8 1.0 OE2 A:GLU58 3.8 43.4 1.0 OE1 A:GLU58 3.8 43.4 1.0 S4 A:SF4301 3.9 41.0 1.0 CB A:CYS17 3.9 44.8 1.0 CD A:GLU58 4.2 43.4 1.0 NE2 D:HIS160 4.3 45.2 1.0 CA A:CYS17 4.3 44.8 1.0 C A:GLY16 4.4 45.7 1.0 SG A:CYS14 4.4 49.5 1.0 CA A:GLY16 4.4 45.7 1.0 N A:GLY16 4.5 45.7 1.0 CA A:PRO137 4.5 35.8 1.0 CD A:PRO138 4.7 34.8 1.0 SG A:CYS86 4.8 34.1 1.0 CD2 D:HIS160 4.8 45.2 1.0 CB A:PRO137 4.9 35.8 1.0 CA A:GLY84 4.9 26.1 1.0 CA A:CYS136 5.0 35.8 1.0 SG A:CYS136 5.0 35.8 1.0

Iron binding site 5 out of 62 in the Structure of the Pyrococcus Furiosus Shi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of the Pyrococcus Furiosus Shi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:61.0 occ:1.00 FE1 A:SF4302 0.0 61.0 1.0 CB A:CYS206 1.6 39.9 1.0 SG A:CYS206 2.3 39.9 1.0 S2 A:SF4302 2.3 61.0 1.0 S3 A:SF4302 2.3 61.0 1.0 S4 A:SF4302 2.3 61.0 1.0 FE4 A:SF4302 2.7 61.0 1.0 FE2 A:SF4302 2.7 61.0 1.0 FE3 A:SF4302 2.7 61.0 1.0 CA A:CYS206 3.0 39.9 1.0 N A:CYS206 3.6 39.9 1.0 C A:CYS206 3.8 39.9 1.0 S1 A:SF4302 3.9 61.0 1.0 OE2 D:GLU162 4.3 44.7 1.0 N A:ARG207 4.4 27.2 1.0 O A:CYS206 4.5 39.9 1.0 NH1 D:ARG157 4.5 44.0 1.0 CG A:ARG207 4.7 27.2 1.0 SG A:CYS196 4.7 39.6 1.0 SG A:CYS192 4.7 33.8 1.0 SG A:CYS203 4.8 43.0 1.0 C A:GLY205 4.9 38.8 1.0

Iron binding site 6 out of 62 in the Structure of the Pyrococcus Furiosus Shi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of the Pyrococcus Furiosus Shi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:61.0 occ:1.00 FE2 A:SF4302 0.0 61.0 1.0 SG A:CYS192 2.3 33.8 1.0 S4 A:SF4302 2.3 61.0 1.0 S1 A:SF4302 2.3 61.0 1.0 S3 A:SF4302 2.3 61.0 1.0 FE3 A:SF4302 2.7 61.0 1.0 FE4 A:SF4302 2.7 61.0 1.0 FE1 A:SF4302 2.7 61.0 1.0 CB A:CYS192 3.3 33.8 1.0 S2 A:SF4302 3.9 61.0 1.0 CB A:CYS206 4.1 39.9 1.0 N A:ARG195 4.6 37.3 1.0 CG1 A:VAL163 4.6 30.6 1.0 CG2 A:VAL163 4.6 30.6 1.0 SG A:CYS206 4.7 39.9 1.0 CA A:CYS192 4.7 33.8 1.0 CD A:ARG207 4.8 27.2 1.0 SG A:CYS203 4.8 43.0 1.0 N A:CYS196 4.8 39.6 1.0 CB A:ARG195 4.9 37.3 1.0 SG A:CYS196 4.9 39.6 1.0 CG A:ARG207 4.9 27.2 1.0

Iron binding site 7 out of 62 in the Structure of the Pyrococcus Furiosus Shi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of the Pyrococcus Furiosus Shi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:61.0 occ:1.00 FE3 A:SF4302 0.0 61.0 1.0 SG A:CYS203 2.3 43.0 1.0 S1 A:SF4302 2.3 61.0 1.0 S4 A:SF4302 2.3 61.0 1.0 S2 A:SF4302 2.3 61.0 1.0 FE4 A:SF4302 2.7 61.0 1.0 FE2 A:SF4302 2.7 61.0 1.0 FE1 A:SF4302 2.7 61.0 1.0 CB A:CYS203 3.3 43.0 1.0 CB A:CYS206 3.5 39.9 1.0 N A:CYS206 3.8 39.9 1.0 CA A:CYS203 3.8 43.0 1.0 S3 A:SF4302 3.9 61.0 1.0 N A:ILE204 4.1 40.3 1.0 CA A:CYS206 4.3 39.9 1.0 C A:CYS203 4.4 43.0 1.0 N A:GLY205 4.5 38.8 1.0 SG A:CYS196 4.5 39.6 1.0 CG2 A:VAL163 4.6 30.6 1.0 CB A:CYS196 4.7 39.6 1.0 SG A:CYS192 4.7 33.8 1.0 OG1 A:THR188 4.8 30.8 1.0 C A:GLY205 4.9 38.8 1.0 SG A:CYS206 4.9 39.9 1.0 CA A:GLY205 5.0 38.8 1.0

Iron binding site 8 out of 62 in the Structure of the Pyrococcus Furiosus Shi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of the Pyrococcus Furiosus Shi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:61.0 occ:1.00 FE4 A:SF4302 0.0 61.0 1.0 SG A:CYS196 2.3 39.6 1.0 S2 A:SF4302 2.3 61.0 1.0 S3 A:SF4302 2.3 61.0 1.0 S1 A:SF4302 2.3 61.0 1.0 FE3 A:SF4302 2.7 61.0 1.0 FE1 A:SF4302 2.7 61.0 1.0 FE2 A:SF4302 2.7 61.0 1.0 CB A:CYS196 3.0 39.6 1.0 N A:CYS196 3.7 39.6 1.0 S4 A:SF4302 3.9 61.0 1.0 CA A:CYS196 3.9 39.6 1.0 CB A:CYS206 4.1 39.9 1.0 OE1 D:GLU162 4.2 44.7 1.0 OE2 D:GLU162 4.4 44.7 1.0 CD D:GLU162 4.5 44.7 1.0 SG A:CYS206 4.6 39.9 1.0 SG A:CYS203 4.7 43.0 1.0 CB A:ARG195 4.7 37.3 1.0 C A:ARG195 4.7 37.3 1.0 CA A:CYS203 4.8 43.0 1.0 SG A:CYS192 4.9 33.8 1.0 CB A:CYS203 4.9 43.0 1.0

Iron binding site 9 out of 62 in the Structure of the Pyrococcus Furiosus Shi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Structure of the Pyrococcus Furiosus Shi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe303 b:61.0 occ:1.00 FE1 A:SF4303 0.0 61.0 1.0 SG A:CYS167 2.3 35.4 1.0 S3 A:SF4303 2.3 61.0 1.0 S2 A:SF4303 2.3 61.0 1.0 S4 A:SF4303 2.3 61.0 1.0 FE4 A:SF4303 2.7 61.0 1.0 FE2 A:SF4303 2.7 61.0 1.0 FE3 A:SF4303 2.7 61.0 1.0 CB A:CYS167 3.0 35.4 1.0 CB A:PRO197 3.6 36.2 1.0 S1 A:SF4303 3.9 61.0 1.0 CG A:PRO197 3.9 36.2 1.0 NH1 A:ARG168 4.4 24.5 1.0 CA A:CYS167 4.5 35.4 1.0 CA A:CYS174 4.6 41.1 1.0 SG A:CYS174 4.6 41.1 1.0 CA A:CYS164 4.7 34.4 1.0 SG A:CYS164 4.8 34.4 1.0 NH2 A:ARG168 4.8 24.5 1.0 SG A:CYS183 4.8 45.7 1.0 CZ A:ARG168 4.9 24.5 1.0 O A:PRO173 4.9 34.6 1.0 N A:ILE175 5.0 43.6 1.0

Iron binding site 10 out of 62 in the Structure of the Pyrococcus Furiosus Shi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Structure of the Pyrococcus Furiosus Shi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe303 b:61.0 occ:1.00 FE2 A:SF4303 0.0 61.0 1.0 SG A:CYS164 2.3 34.4 1.0 S1 A:SF4303 2.3 61.0 1.0 S3 A:SF4303 2.3 61.0 1.0 S4 A:SF4303 2.3 61.0 1.0 FE3 A:SF4303 2.7 61.0 1.0 FE4 A:SF4303 2.7 61.0 1.0 FE1 A:SF4303 2.7 61.0 1.0 CB A:CYS164 3.3 34.4 1.0 CA A:CYS164 3.6 34.4 1.0 S2 A:SF4303 3.9 61.0 1.0 N A:CYS164 4.1 34.4 1.0 CA A:GLY185 4.2 35.2 1.0 CD A:PRO186 4.3 35.9 1.0 CG A:PRO186 4.5 35.9 1.0 CB A:CYS167 4.5 35.4 1.0 C A:GLY185 4.6 35.2 1.0 N A:PRO186 4.6 35.9 1.0 SG A:CYS183 4.7 45.7 1.0 SG A:CYS167 4.7 35.4 1.0 SG A:CYS174 4.7 41.1 1.0 NH1 A:ARG168 4.9 24.5 1.0 CD1 B:ILE238 4.9 28.5 1.0 C A:CYS164 4.9 34.4 1.0 C A:VAL163 4.9 30.6 1.0 N A:GLY185 5.0 35.2 1.0

X.Xiao, G.J.Schut, X.Feng, P.M.Mcternan, D.K.Haja, W.N.Lanzilotta, M.W.W.Adams, H.Li. Structural Insights Into the Biotechnologically Relevant Reversible Nadph-Oxidizing Nife-Hydrogenase From P.Furiosus. Structure 2025.
ISSN: ISSN 0969-2126
PubMed: 40570843
DOI: 10.1016/J.STR.2025.05.017