Iron in PDB 3wcq: Crystal Structure Analysis of Cyanidioschyzon Melorae Ferredoxin D58N Mutant

The structure of Crystal Structure Analysis of Cyanidioschyzon Melorae Ferredoxin D58N Mutant, PDB code: 3wcq was solved by Y.Ueno, T.Matsumoto, A.Yamano, T.Imai, Y.Morimoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.97 / 0.97
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.026, 46.527, 66.139, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 17

The binding sites of Iron atom in the Crystal Structure Analysis of Cyanidioschyzon Melorae Ferredoxin D58N Mutant (pdb code 3wcq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure Analysis of Cyanidioschyzon Melorae Ferredoxin D58N Mutant, PDB code: 3wcq:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure Analysis of Cyanidioschyzon Melorae Ferredoxin D58N Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Analysis of Cyanidioschyzon Melorae Ferredoxin D58N Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe100 b:9.2 occ:1.00 FE1 A:FES100 0.0 9.2 1.0 S2 A:FES100 2.2 9.4 1.0 SG A:CYS45 2.3 9.8 1.0 S1 A:FES100 2.3 9.4 1.0 SG A:CYS40 2.3 10.2 1.0 HG A:CYS40 2.5 30.0 0.0 FE2 A:FES100 2.8 8.3 1.0 H A:CYS40 3.0 12.0 1.0 H A:ARG41 3.2 11.1 1.0 HG A:CYS45 3.3 6.5 0.0 H A:CYS45 3.3 9.4 1.0 CB A:CYS45 3.4 9.9 1.0 HB3 A:CYS45 3.5 9.7 1.0 CB A:CYS40 3.5 13.0 1.0 HB3 A:CYS40 3.5 13.2 1.0 N A:CYS40 3.7 11.3 1.0 H A:ALA42 3.7 10.9 1.0 N A:CYS45 3.7 9.5 1.0 H A:ALA44 3.7 11.0 1.0 HG A:SER39 3.8 30.0 0.0 N A:ARG41 3.8 10.6 1.0 HG A:CYS78 3.8 4.7 0.0 CA A:CYS45 3.8 9.4 1.0 H A:GLY43 3.9 10.4 1.0 H A:THR47 3.9 8.3 1.0 CA A:CYS40 3.9 12.7 1.0 H A:SER39 4.0 11.1 1.0 C A:CYS45 4.0 8.8 1.0 HB A:THR47 4.0 9.2 1.0 O A:CYS45 4.1 9.3 1.0 H A:CYS48 4.2 8.0 1.0 HB2 A:CYS45 4.2 9.9 1.0 C A:CYS40 4.3 10.9 1.0 N A:ALA44 4.3 10.7 1.0 HG A:CYS48 4.3 4.6 0.0 OG A:SER39 4.3 14.0 1.0 HB2 A:CYS40 4.4 14.2 1.0 SG A:CYS78 4.5 9.2 1.0 N A:ALA42 4.5 10.8 1.0 N A:GLY43 4.5 10.4 1.0 HA A:ARG41 4.5 10.8 1.0 C A:ALA44 4.5 10.6 1.0 N A:THR47 4.6 8.6 1.0 SG A:CYS48 4.6 8.2 1.0 N A:SER46 4.6 8.4 1.0 CA A:ARG41 4.7 11.0 1.0 C A:SER39 4.7 11.6 1.0 N A:SER39 4.8 10.6 1.0 HB3 A:CYS48 4.8 8.3 1.0 HA2 A:GLY43 4.8 10.5 1.0 HA A:CYS45 4.8 9.2 1.0 CB A:THR47 4.8 8.9 1.0 HD13 A:LEU76 4.9 4.3 0.0 HA A:CYS40 4.9 13.2 1.0 H A:SER46 4.9 8.4 1.0 OG1 A:THR47 5.0 10.6 1.0 CA A:GLY43 5.0 10.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure Analysis of Cyanidioschyzon Melorae Ferredoxin D58N Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure Analysis of Cyanidioschyzon Melorae Ferredoxin D58N Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe100 b:8.3 occ:1.00 FE2 A:FES100 0.0 8.3 1.0 HG A:CYS48 1.6 4.6 0.0 S2 A:FES100 2.2 9.4 1.0 S1 A:FES100 2.2 9.4 1.0 SG A:CYS48 2.3 8.2 1.0 SG A:CYS78 2.3 9.2 1.0 HG A:CYS78 2.5 4.7 0.0 FE1 A:FES100 2.8 9.2 1.0 HB3 A:CYS78 3.0 9.4 1.0 HB3 A:CYS48 3.1 8.3 1.0 CB A:CYS78 3.3 9.5 1.0 CB A:CYS48 3.3 8.5 1.0 H A:CYS78 3.5 8.1 1.0 H A:GLY43 3.5 10.4 1.0 HB3 A:LEU76 3.6 7.5 1.0 H A:CYS48 3.6 8.0 1.0 HA A:ARG41 3.7 10.8 1.0 H A:ARG41 3.7 11.1 1.0 HB2 A:CYS78 3.9 9.2 1.0 HB2 A:CYS48 3.9 8.4 1.0 HA2 A:GLY43 4.1 10.5 1.0 H A:ALA42 4.1 10.9 1.0 N A:CYS78 4.2 8.3 1.0 N A:CYS48 4.3 8.0 1.0 N A:ARG41 4.3 10.6 1.0 CA A:CYS78 4.3 8.8 1.0 N A:GLY43 4.4 10.4 1.0 HD13 A:LEU76 4.4 4.3 0.0 CA A:ARG41 4.4 11.0 1.0 HD21 A:LEU76 4.4 4.3 0.0 CA A:CYS48 4.4 8.1 1.0 SG A:CYS40 4.4 10.2 1.0 CB A:LEU76 4.5 7.6 1.0 N A:ALA42 4.6 10.8 1.0 H A:SER39 4.6 11.1 1.0 SG A:CYS45 4.7 9.8 1.0 CA A:GLY43 4.7 10.3 1.0 HB2 A:TYR38 4.8 10.9 1.0 H A:CYS45 4.8 9.4 1.0 HA A:TYR38 4.8 10.5 1.0 C A:ARG41 4.8 11.2 1.0 HB A:THR47 4.8 9.2 1.0 HG21 A:VAL79 4.9 5.0 0.0 HG A:CYS40 4.9 30.0 0.0 O A:CYS45 4.9 9.3 1.0 HA A:LEU76 4.9 7.5 1.0 H A:CYS40 4.9 12.0 1.0 H A:ALA44 4.9 11.0 1.0 HB2 A:LEU76 5.0 7.5 1.0

Y.Ueno, T.Matsumoto, A.Yamano, T.Imai, Y.Morimoto. Increasing the Electron-Transfer Ability of Cyanidioschyzon Merolae Ferredoxin By A One-Point Mutation - A High Resolution and Fe-Sad Phasing Crystal Structure Analysis of the ASP58ASN Mutant Biochem.Biophys.Res.Commun. V. 436 736 2013.
ISSN: ISSN 0006-291X
PubMed: 23792094
DOI: 10.1016/J.BBRC.2013.06.029