Iron in PDB 1vjw: Structure of Oxidoreductase (Nadp+(A),Ferredoxin(A))

The structure of Structure of Oxidoreductase (Nadp+(A),Ferredoxin(A)), PDB code: 1vjw was solved by S.Macedo-Ribeiro, B.Darimont, R.Sterner, R.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	29.630, 38.020, 44.360, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / n/a

The binding sites of Iron atom in the Structure of Oxidoreductase (Nadp+(A),Ferredoxin(A)) (pdb code 1vjw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of Oxidoreductase (Nadp+(A),Ferredoxin(A)), PDB code: 1vjw:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of Oxidoreductase (Nadp+(A),Ferredoxin(A))


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Oxidoreductase (Nadp+(A),Ferredoxin(A)) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe61 b:13.7 occ:1.00 FE1 A:SF461 0.0 13.7 1.0 SG A:CYS10 2.2 13.6 1.0 S2 A:SF461 2.3 12.8 1.0 S4 A:SF461 2.3 13.8 1.0 S3 A:SF461 2.3 14.2 1.0 FE4 A:SF461 2.7 14.7 1.0 FE3 A:SF461 2.8 13.3 1.0 FE2 A:SF461 2.8 16.2 1.0 CB A:CYS10 3.3 14.4 1.0 CA A:CYS10 3.7 13.6 1.0 N A:GLY12 3.9 14.3 1.0 S1 A:SF461 3.9 13.7 1.0 N A:ILE11 3.9 11.8 1.0 CB A:ALA32 4.0 14.9 1.0 C A:CYS10 4.2 14.8 1.0 CA A:GLY12 4.4 13.0 1.0 N A:ALA32 4.6 11.8 1.0 N A:CYS13 4.7 11.9 1.0 SG A:CYS51 4.7 13.2 1.0 SG A:CYS16 4.8 12.9 1.0 CB A:ALA55 4.9 8.6 1.0 C A:ILE11 4.9 14.8 1.0 N A:CYS10 4.9 14.0 1.0 CA A:ALA32 4.9 12.6 1.0 SG A:CYS13 5.0 15.4 1.0

Iron binding site 2 out of 4 in the Structure of Oxidoreductase (Nadp+(A),Ferredoxin(A))


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Oxidoreductase (Nadp+(A),Ferredoxin(A)) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe61 b:16.2 occ:1.00 FE2 A:SF461 0.0 16.2 1.0 SG A:CYS13 2.2 15.4 1.0 S3 A:SF461 2.3 14.2 1.0 S1 A:SF461 2.3 13.7 1.0 S4 A:SF461 2.4 13.8 1.0 FE4 A:SF461 2.7 14.7 1.0 FE1 A:SF461 2.8 13.7 1.0 FE3 A:SF461 2.8 13.3 1.0 N A:CYS13 3.5 11.9 1.0 CB A:CYS13 3.6 15.8 1.0 N A:GLY14 3.6 14.3 1.0 S2 A:SF461 3.9 12.8 1.0 CA A:CYS13 3.9 14.0 1.0 CD A:PRO52 4.2 12.9 1.0 N A:VAL15 4.2 12.9 1.0 C A:CYS13 4.3 13.8 1.0 C A:GLY12 4.5 12.9 1.0 N A:GLY12 4.5 14.3 1.0 CG A:PRO52 4.5 16.1 1.0 CA A:GLY14 4.6 11.4 1.0 SG A:CYS51 4.6 13.2 1.0 CG1 A:ILE11 4.7 14.8 1.0 SG A:CYS16 4.7 12.9 1.0 CA A:GLY12 4.8 13.0 1.0 SG A:CYS10 4.8 13.6 1.0 CB A:VAL15 4.8 17.1 1.0 C A:GLY14 4.8 13.6 1.0 N A:CYS16 4.9 9.1 1.0 N A:ILE11 5.0 11.8 1.0

Iron binding site 3 out of 4 in the Structure of Oxidoreductase (Nadp+(A),Ferredoxin(A))


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Oxidoreductase (Nadp+(A),Ferredoxin(A)) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe61 b:13.3 occ:1.00 FE3 A:SF461 0.0 13.3 1.0 SG A:CYS16 2.2 12.9 1.0 S2 A:SF461 2.3 12.8 1.0 S1 A:SF461 2.3 13.7 1.0 S4 A:SF461 2.3 13.8 1.0 FE1 A:SF461 2.8 13.7 1.0 FE4 A:SF461 2.8 14.7 1.0 FE2 A:SF461 2.8 16.2 1.0 CB A:CYS16 3.3 8.5 1.0 CB A:ALA32 3.9 14.9 1.0 N A:CYS16 3.9 9.1 1.0 S3 A:SF461 3.9 14.2 1.0 CD1 A:ILE56 4.1 12.8 1.0 CA A:CYS16 4.2 10.5 1.0 N A:VAL15 4.7 12.9 1.0 SG A:CYS10 4.7 13.6 1.0 N A:GLY14 4.7 14.3 1.0 SG A:CYS13 4.7 15.4 1.0 CG1 A:ILE56 4.8 12.4 1.0 SG A:CYS51 4.8 13.2 1.0 CA A:GLY14 4.9 11.4 1.0 C A:GLY14 5.0 13.6 1.0

Iron binding site 4 out of 4 in the Structure of Oxidoreductase (Nadp+(A),Ferredoxin(A))


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Oxidoreductase (Nadp+(A),Ferredoxin(A)) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe61 b:14.7 occ:1.00 FE4 A:SF461 0.0 14.7 1.0 SG A:CYS51 2.2 13.2 1.0 S3 A:SF461 2.3 14.2 1.0 S2 A:SF461 2.3 12.8 1.0 S1 A:SF461 2.3 13.7 1.0 FE2 A:SF461 2.7 16.2 1.0 FE1 A:SF461 2.7 13.7 1.0 FE3 A:SF461 2.8 13.3 1.0 CB A:CYS51 3.3 13.5 1.0 S4 A:SF461 3.9 13.8 1.0 CA A:CYS51 3.9 13.5 1.0 CD A:PRO52 4.1 12.9 1.0 CD1 A:ILE56 4.3 12.8 1.0 CB A:ALA55 4.4 8.6 1.0 CG1 A:ILE56 4.4 12.4 1.0 OG1 A:THR53 4.5 14.4 1.0 SG A:CYS13 4.6 15.4 1.0 C A:CYS51 4.6 12.3 1.0 N A:PRO52 4.7 12.6 1.0 SG A:CYS10 4.8 13.6 1.0 CG A:PRO52 4.8 16.1 1.0 SG A:CYS16 4.9 12.9 1.0 N A:ALA55 5.0 12.3 1.0

S.Macedo-Ribeiro, B.Darimont, R.Sterner, R.Huber. Small Structural Changes Account For the High Thermostability of 1[4FE-4S] Ferredoxin From the Hyperthermophilic Bacterium Thermotoga Maritima. Structure V. 4 1291 1996.
ISSN: ISSN 0969-2126
PubMed: 8939753
DOI: 10.1016/S0969-2126(96)00137-2