Iron in PDB 1frx: Structure and Properties of C20S Fdi Mutant

The structure of Structure and Properties of C20S Fdi Mutant, PDB code: 1frx was solved by C.D.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.250, 55.250, 95.450, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / n/a

The binding sites of Iron atom in the Structure and Properties of C20S Fdi Mutant (pdb code 1frx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 7 binding sites of Iron where determined in the Structure and Properties of C20S Fdi Mutant, PDB code: 1frx:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7;

Iron binding site 1 out of 7 in the Structure and Properties of C20S Fdi Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure and Properties of C20S Fdi Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:22.3 occ:1.00 FE1 A:SF4107 0.0 22.3 1.0 S4 A:SF4107 2.3 24.0 1.0 S3 A:SF4107 2.3 22.5 1.0 S2 A:SF4107 2.3 26.8 1.0 SG A:CYS39 2.3 22.4 1.0 FE4 A:SF4107 2.4 31.9 1.0 FE3 A:SF4107 2.5 23.8 1.0 FE2 A:SF4107 2.5 24.4 1.0 CB A:CYS39 3.4 18.8 1.0 S1 A:SF4107 3.7 23.9 1.0 CA A:CYS39 3.8 21.5 1.0 N A:ASP41 4.1 19.3 1.0 N A:ILE40 4.1 19.6 1.0 SG A:CYS24 4.3 30.9 1.0 C A:CYS39 4.4 20.7 1.0 CA A:ASP41 4.5 19.2 1.0 CB A:CYS24 4.5 27.6 1.0 N A:CYS42 4.6 15.9 1.0 SG A:CYS45 4.7 23.9 1.0 CD1 A:PHE2 4.7 14.1 1.0 CB A:PHE2 4.7 15.0 1.0 SG A:CYS42 4.7 19.1 1.0 CG2 A:ILE34 4.7 14.2 1.0 C A:ILE40 5.0 19.5 1.0 CG A:PHE2 5.0 13.7 1.0

Iron binding site 2 out of 7 in the Structure and Properties of C20S Fdi Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure and Properties of C20S Fdi Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:24.4 occ:1.00 FE2 A:SF4107 0.0 24.4 1.0 S1 A:SF4107 2.3 23.9 1.0 S3 A:SF4107 2.3 22.5 1.0 S4 A:SF4107 2.3 24.0 1.0 SG A:CYS42 2.3 19.1 1.0 FE1 A:SF4107 2.5 22.3 1.0 FE3 A:SF4107 2.6 23.8 1.0 FE4 A:SF4107 2.7 31.9 1.0 CB A:CYS42 3.6 17.1 1.0 N A:CYS42 3.8 15.9 1.0 S2 A:SF4107 3.9 26.8 1.0 CA A:CYS42 4.1 16.8 1.0 N A:ALA43 4.2 18.7 1.0 OG A:SER20 4.3 26.4 1.0 CD A:PRO21 4.4 21.8 1.0 C A:CYS42 4.4 17.4 1.0 N A:LEU44 4.5 18.1 1.0 SG A:CYS45 4.5 23.9 1.0 SG A:CYS39 4.6 22.4 1.0 C A:ASP41 4.8 16.8 1.0 CG A:PRO21 4.8 20.2 1.0 N A:ASP41 4.8 19.3 1.0 SG A:CYS24 4.9 30.9 1.0 N A:CYS45 5.0 22.8 1.0

Iron binding site 3 out of 7 in the Structure and Properties of C20S Fdi Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure and Properties of C20S Fdi Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:23.8 occ:1.00 FE3 A:SF4107 0.0 23.8 1.0 S4 A:SF4107 2.3 24.0 1.0 S1 A:SF4107 2.3 23.9 1.0 S2 A:SF4107 2.3 26.8 1.0 SG A:CYS45 2.3 23.9 1.0 FE1 A:SF4107 2.5 22.3 1.0 FE4 A:SF4107 2.5 31.9 1.0 FE2 A:SF4107 2.6 24.4 1.0 CB A:CYS45 3.4 23.6 1.0 S3 A:SF4107 3.8 22.5 1.0 N A:CYS45 4.2 22.8 1.0 CZ A:PHE25 4.4 21.8 1.0 CE2 A:PHE25 4.4 20.5 1.0 CA A:CYS45 4.4 22.1 1.0 SG A:CYS39 4.6 22.4 1.0 CB A:PHE2 4.6 15.0 1.0 SG A:CYS42 4.6 19.1 1.0 SG A:CYS24 4.7 30.9 1.0 CD1 A:ILE34 4.7 15.1 1.0 OG A:SER20 4.7 26.4 1.0 CG A:PHE2 4.8 13.7 1.0

Iron binding site 4 out of 7 in the Structure and Properties of C20S Fdi Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure and Properties of C20S Fdi Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:31.9 occ:1.00 FE4 A:SF4107 0.0 31.9 1.0 S2 A:SF4107 2.2 26.8 1.0 S1 A:SF4107 2.3 23.9 1.0 SG A:CYS24 2.3 30.9 1.0 S3 A:SF4107 2.4 22.5 1.0 FE1 A:SF4107 2.4 22.3 1.0 FE3 A:SF4107 2.5 23.8 1.0 FE2 A:SF4107 2.7 24.4 1.0 OG A:SER20 2.7 26.4 1.0 CB A:CYS24 3.4 27.6 1.0 S4 A:SF4107 3.8 24.0 1.0 CB A:SER20 3.9 28.4 1.0 CE2 A:PHE25 4.1 20.5 1.0 CG2 A:VAL22 4.5 18.0 1.0 SG A:CYS39 4.6 22.4 1.0 CD2 A:PHE25 4.6 23.1 1.0 CA A:SER20 4.7 30.2 1.0 CZ A:PHE25 4.7 21.8 1.0 SG A:CYS45 4.7 23.9 1.0 CA A:CYS24 4.8 26.9 1.0 SG A:CYS42 4.8 19.1 1.0 CD A:PRO21 4.9 21.8 1.0 CB A:CYS39 4.9 18.8 1.0 CA A:CYS39 5.0 21.5 1.0 N A:CYS24 5.0 31.5 1.0

Iron binding site 5 out of 7 in the Structure and Properties of C20S Fdi Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure and Properties of C20S Fdi Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:22.1 occ:1.00 FE1 A:F3S108 0.0 22.1 1.0 S2 A:F3S108 2.2 23.3 1.0 S3 A:F3S108 2.3 22.3 1.0 SG A:CYS16 2.3 23.6 1.0 S1 A:F3S108 2.3 24.3 1.0 FE3 A:F3S108 2.5 17.6 1.0 FE4 A:F3S108 2.5 16.8 1.0 CB A:CYS16 3.4 20.4 1.0 S4 A:F3S108 3.8 20.3 1.0 N A:THR14 4.1 17.8 1.0 N A:CYS16 4.1 25.2 1.0 CA A:THR14 4.2 19.7 1.0 CA A:CYS16 4.4 22.3 1.0 SG A:CYS8 4.6 18.4 1.0 SG A:CYS49 4.6 18.2 1.0 C A:THR14 4.6 21.5 1.0 CD2 A:LEU32 4.7 14.8 1.0 N A:ASP15 4.7 22.5 1.0 CD1 A:ILE54 4.7 12.1 1.0 CB A:LEU32 4.9 13.0 1.0 CB A:CYS49 5.0 16.6 1.0

Iron binding site 6 out of 7 in the Structure and Properties of C20S Fdi Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure and Properties of C20S Fdi Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:17.6 occ:1.00 FE3 A:F3S108 0.0 17.6 1.0 S1 A:F3S108 2.3 24.3 1.0 S3 A:F3S108 2.3 22.3 1.0 S4 A:F3S108 2.3 20.3 1.0 SG A:CYS8 2.3 18.4 1.0 FE1 A:F3S108 2.5 22.1 1.0 FE4 A:F3S108 2.6 16.8 1.0 CB A:CYS8 3.2 18.7 1.0 S2 A:F3S108 3.8 23.3 1.0 CA A:CYS8 4.0 19.1 1.0 CA A:LYS12 4.2 16.2 1.0 N A:TYR13 4.4 16.5 1.0 N A:LYS12 4.5 18.6 1.0 CG1 A:VAL4 4.5 16.1 1.0 SG A:CYS49 4.6 18.2 1.0 CB A:LEU32 4.6 13.0 1.0 SG A:CYS16 4.7 23.6 1.0 O A:CYS8 4.7 21.1 1.0 C A:LYS12 4.8 17.6 1.0 C A:CYS8 4.8 18.4 1.0 N A:THR14 4.9 17.8 1.0

Iron binding site 7 out of 7 in the Structure and Properties of C20S Fdi Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure and Properties of C20S Fdi Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:16.8 occ:1.00 FE4 A:F3S108 0.0 16.8 1.0 S2 A:F3S108 2.3 23.3 1.0 S3 A:F3S108 2.3 22.3 1.0 S4 A:F3S108 2.3 20.3 1.0 SG A:CYS49 2.3 18.2 1.0 FE1 A:F3S108 2.5 22.1 1.0 FE3 A:F3S108 2.6 17.6 1.0 CB A:CYS49 3.3 16.6 1.0 CA A:CYS49 3.7 19.2 1.0 S1 A:F3S108 3.9 24.3 1.0 CD A:PRO50 4.3 15.9 1.0 C A:CYS49 4.4 17.9 1.0 CB A:ALA51 4.5 20.6 1.0 SG A:CYS16 4.5 23.6 1.0 N A:PRO50 4.5 16.9 1.0 N A:ALA51 4.7 21.1 1.0 SG A:CYS8 4.7 18.4 1.0 CD2 A:TYR13 4.7 10.8 1.0 CB A:ALA53 4.8 10.3 1.0 CB A:CYS8 4.9 18.7 1.0 CB A:TYR13 4.9 11.2 1.0 CB A:CYS16 4.9 20.4 1.0 N A:CYS49 5.0 22.4 1.0

B.Shen, D.R.Jollie, T.C.Diller, C.D.Stout, P.J.Stephens, B.K.Burgess. Site-Directed Mutagenesis of Azotobacter Vinelandii Ferredoxin I: Cysteine Ligation of the [4FE-4S] Cluster with Protein Rearrangement Is Preferred Over Serine Ligation. Proc.Natl.Acad.Sci.Usa V. 92 10064 1995.
ISSN: ISSN 0027-8424
PubMed: 7479727
DOI: 10.1073/PNAS.92.22.10064