Iron in PDB 1sj1: The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus

The structure of The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus, PDB code: 1sj1 was solved by M.S.Nielsen, P.Harris, B.L.Ooi, H.E.Christensen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.64 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.230, 47.511, 52.029, 90.00, 103.86, 90.00
R / Rfree (%)	19.4 / 22.3

The structure of The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus also contains other interesting chemical elements:

Cobalt

(Co)

6 atoms

The binding sites of Iron atom in the The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus (pdb code 1sj1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus, PDB code: 1sj1:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe70 b:10.1 occ:1.00 FE1 A:F3S70 0.0 10.1 1.0 S1 A:F3S70 2.2 10.2 1.0 SG A:CYS11 2.3 11.8 1.0 S2 A:F3S70 2.3 10.7 1.0 S3 A:F3S70 2.3 9.9 1.0 FE3 A:F3S70 2.7 10.9 1.0 FE4 A:F3S70 2.7 10.0 1.0 CB A:CYS11 3.3 10.7 1.0 N A:GLY13 3.8 8.0 1.0 CA A:CYS11 3.8 11.4 1.0 O A:HOH145 3.8 22.9 1.0 S4 A:F3S70 3.8 11.1 1.0 N A:ILE12 4.1 9.2 1.0 CA A:GLY13 4.1 10.1 1.0 N A:ASP14 4.2 13.8 1.0 CB A:ALA33 4.3 8.6 1.0 C A:CYS11 4.3 12.9 1.0 N A:ALA33 4.4 11.1 1.0 SG A:CYS56 4.7 11.1 1.0 C A:GLY13 4.7 9.3 1.0 CB A:ALA60 4.7 10.6 1.0 SG A:CYS17 4.8 9.7 1.0 CG1 A:VAL6 4.8 8.7 1.0 N A:ALA15 4.8 12.1 1.0 C A:ILE12 4.9 10.3 1.0 CA A:ALA33 5.0 9.6 1.0

Iron binding site 2 out of 6 in the The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe70 b:10.9 occ:1.00 FE3 A:F3S70 0.0 10.9 1.0 S1 A:F3S70 2.3 10.2 1.0 S4 A:F3S70 2.3 11.1 1.0 S3 A:F3S70 2.3 9.9 1.0 SG A:CYS17 2.3 9.7 1.0 FE1 A:F3S70 2.7 10.1 1.0 FE4 A:F3S70 2.8 10.0 1.0 O A:HOH145 2.9 22.9 1.0 CB A:CYS17 3.4 7.2 1.0 CB A:ALA33 3.8 8.6 1.0 S2 A:F3S70 4.0 10.7 1.0 N A:CYS17 4.1 9.7 1.0 N A:ALA15 4.1 12.1 1.0 CA A:ALA15 4.3 11.9 1.0 CA A:CYS17 4.4 10.9 1.0 CD1 A:ILE61 4.4 10.3 1.0 SG A:CYS11 4.7 11.8 1.0 N A:ILE16 4.7 10.6 1.0 C A:ALA15 4.7 12.4 1.0 SG A:CYS56 4.8 11.1 1.0

Iron binding site 3 out of 6 in the The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe70 b:10.0 occ:1.00 FE4 A:F3S70 0.0 10.0 1.0 SG A:CYS56 2.2 11.1 1.0 S4 A:F3S70 2.2 11.1 1.0 S2 A:F3S70 2.3 10.7 1.0 S3 A:F3S70 2.4 9.9 1.0 O A:HOH145 2.6 22.9 1.0 FE1 A:F3S70 2.7 10.1 1.0 FE3 A:F3S70 2.8 10.9 1.0 CB A:CYS56 3.2 9.3 1.0 S1 A:F3S70 3.9 10.2 1.0 CA A:CYS56 3.9 11.7 1.0 CB A:ALA60 4.3 10.6 1.0 CD A:PRO57 4.3 9.0 1.0 CD1 A:ILE61 4.6 10.3 1.0 CG2 A:VAL58 4.6 10.4 1.0 C A:CYS56 4.6 10.4 1.0 N A:PRO57 4.7 8.4 1.0 CB A:ASP14 4.7 14.8 1.0 SG A:CYS11 4.8 11.8 1.0 CG1 A:ILE61 4.9 10.3 1.0 SG A:CYS17 4.9 9.7 1.0 N A:ALA60 5.0 12.3 1.0

Iron binding site 4 out of 6 in the The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe70 b:10.3 occ:1.00 FE1 B:F3S70 0.0 10.3 1.0 S1 B:F3S70 2.2 10.7 1.0 SG B:CYS11 2.3 11.7 1.0 S2 B:F3S70 2.3 11.6 1.0 S3 B:F3S70 2.4 10.1 1.0 FE4 B:F3S70 2.7 10.5 1.0 FE3 B:F3S70 2.7 10.2 1.0 O B:HOH77 2.9 22.4 1.0 CB B:CYS11 3.4 12.6 1.0 N B:GLY13 3.8 12.4 1.0 CA B:CYS11 3.8 10.8 1.0 S4 B:F3S70 3.9 11.4 1.0 N B:ILE12 4.1 10.2 1.0 CA B:GLY13 4.1 11.1 1.0 N B:ASP14 4.3 11.9 1.0 C B:CYS11 4.3 12.5 1.0 N B:ALA33 4.4 9.7 1.0 CB B:ALA33 4.4 7.4 1.0 SG B:CYS56 4.7 9.9 1.0 C B:GLY13 4.7 11.5 1.0 CB B:ALA60 4.7 10.0 1.0 SG B:CYS17 4.8 9.3 1.0 CG1 B:VAL6 4.8 11.1 1.0 C B:ILE12 4.8 10.2 1.0 N B:ALA15 4.9 11.3 1.0

Iron binding site 5 out of 6 in the The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe70 b:10.2 occ:1.00 FE3 B:F3S70 0.0 10.2 1.0 S4 B:F3S70 2.2 11.4 1.0 SG B:CYS17 2.3 9.3 1.0 S1 B:F3S70 2.3 10.7 1.0 S3 B:F3S70 2.4 10.1 1.0 O B:HOH77 2.6 22.4 1.0 FE1 B:F3S70 2.7 10.3 1.0 FE4 B:F3S70 2.7 10.5 1.0 CB B:CYS17 3.3 8.7 1.0 S2 B:F3S70 3.9 11.6 1.0 CB B:ALA33 3.9 7.4 1.0 N B:CYS17 4.0 10.5 1.0 N B:ALA15 4.1 11.3 1.0 CA B:ALA15 4.3 9.4 1.0 CA B:CYS17 4.3 10.1 1.0 CD1 B:ILE61 4.4 9.4 1.0 N B:ILE16 4.6 12.0 1.0 C B:ALA15 4.6 10.8 1.0 SG B:CYS11 4.7 11.7 1.0 SG B:CYS56 4.8 9.9 1.0

Iron binding site 6 out of 6 in the The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of The 1.5 A Resolution Crystal Structure of [FE3S4]- Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe70 b:10.5 occ:1.00 FE4 B:F3S70 0.0 10.5 1.0 SG B:CYS56 2.3 9.9 1.0 S3 B:F3S70 2.3 10.1 1.0 S4 B:F3S70 2.3 11.4 1.0 S2 B:F3S70 2.3 11.6 1.0 O B:HOH77 2.5 22.4 1.0 FE1 B:F3S70 2.7 10.3 1.0 FE3 B:F3S70 2.7 10.2 1.0 CB B:CYS56 3.3 9.0 1.0 S1 B:F3S70 3.9 10.7 1.0 CA B:CYS56 4.0 12.5 1.0 CD B:PRO57 4.3 9.9 1.0 CB B:ALA60 4.3 10.0 1.0 CG2 B:VAL58 4.4 10.8 1.0 CD1 B:ILE61 4.6 9.4 1.0 C B:CYS56 4.7 10.3 1.0 CB B:ASP14 4.7 14.0 1.0 N B:PRO57 4.7 8.7 1.0 SG B:CYS11 4.8 11.7 1.0 SG B:CYS17 4.9 9.3 1.0 CG1 B:ILE61 4.9 10.7 1.0

M.S.Nielsen, P.Harris, B.L.Ooi, H.E.M.Christensen. The 1.5 A Resolution Crystal Structure of [FE3S4]-Ferredoxin From the Hyperthermophilic Archaeon Pyrococcus Furiosus Biochemistry V. 43 5188 2004.
ISSN: ISSN 0006-2960
PubMed: 15122884
DOI: 10.1021/BI049942X