Iron in PDB 4fhg: Spore Photoproduct Lyase C140S Mutant

The structure of Spore Photoproduct Lyase C140S Mutant, PDB code: 4fhg was solved by A.Benjdia, K.Heil, T.R.M.Barends, T.Carell, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.35 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.210, 63.090, 143.290, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 24.5

The binding sites of Iron atom in the Spore Photoproduct Lyase C140S Mutant (pdb code 4fhg). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Spore Photoproduct Lyase C140S Mutant, PDB code: 4fhg:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Spore Photoproduct Lyase C140S Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Spore Photoproduct Lyase C140S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:22.1 occ:1.00 FE1 A:SF4401 0.0 22.1 1.0 SG A:CYS94 2.3 21.6 1.0 S2 A:SF4401 2.3 22.6 1.0 S3 A:SF4401 2.3 23.8 1.0 S4 A:SF4401 2.3 24.1 1.0 FE2 A:SF4401 2.7 22.6 1.0 FE4 A:SF4401 2.7 22.4 1.0 FE3 A:SF4401 2.7 21.2 1.0 CB A:CYS94 3.1 22.6 1.0 NZ A:LYS174 3.7 22.1 1.0 S1 A:SF4401 3.9 23.5 1.0 N A:CYS94 4.0 22.8 1.0 CA A:CYS94 4.1 22.6 1.0 O A:EEM402 4.2 23.5 1.0 CD A:LYS174 4.2 22.6 1.0 CE A:LYS174 4.3 21.9 1.0 SG A:CYS97 4.5 23.4 1.0 CG2 A:THR209 4.6 26.2 1.0 CB A:CYS97 4.7 23.9 1.0 N A:EEM402 4.7 24.0 1.0 SG A:CYS90 4.8 22.0 1.0

Iron binding site 2 out of 4 in the Spore Photoproduct Lyase C140S Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Spore Photoproduct Lyase C140S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:22.6 occ:1.00 FE2 A:SF4401 0.0 22.6 1.0 SG A:CYS97 2.2 23.4 1.0 S1 A:SF4401 2.3 23.5 1.0 S4 A:SF4401 2.3 24.1 1.0 S3 A:SF4401 2.3 23.8 1.0 FE4 A:SF4401 2.7 22.4 1.0 FE1 A:SF4401 2.7 22.1 1.0 FE3 A:SF4401 2.8 21.2 1.0 CB A:CYS97 3.2 23.9 1.0 S2 A:SF4401 3.9 22.6 1.0 O A:HOH637 4.3 23.8 1.0 CA A:CYS97 4.3 23.8 1.0 CD1 A:LEU99 4.5 28.9 1.0 CB A:CYS94 4.5 22.6 1.0 N A:EEM402 4.6 24.0 1.0 SG A:CYS94 4.7 21.6 1.0 SG A:CYS90 4.8 22.0 1.0 SE A:EEM402 4.8 27.0 1.0 CB A:CYS90 4.9 22.1 1.0 O A:EEM402 4.9 23.5 1.0 CG A:LEU99 5.0 27.9 1.0

Iron binding site 3 out of 4 in the Spore Photoproduct Lyase C140S Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Spore Photoproduct Lyase C140S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:21.2 occ:1.00 FE3 A:SF4401 0.0 21.2 1.0 N A:EEM402 2.2 24.0 1.0 S4 A:SF4401 2.3 24.1 1.0 S2 A:SF4401 2.3 22.6 1.0 S1 A:SF4401 2.3 23.5 1.0 O A:EEM402 2.3 23.5 1.0 FE4 A:SF4401 2.7 22.4 1.0 FE1 A:SF4401 2.7 22.1 1.0 FE2 A:SF4401 2.8 22.6 1.0 C A:EEM402 3.1 23.7 1.0 CA A:EEM402 3.1 23.8 1.0 SE A:EEM402 3.7 27.0 1.0 CG A:EEM402 3.7 24.6 1.0 NZ A:LYS174 3.8 22.1 1.0 CB A:EEM402 3.9 24.1 1.0 S3 A:SF4401 4.0 23.8 1.0 OXT A:EEM402 4.3 23.0 1.0 OD1 A:ASP143 4.4 21.2 1.0 SG A:CYS90 4.6 22.0 1.0 SG A:CYS94 4.8 21.6 1.0 CD A:LYS174 4.8 22.6 1.0 SG A:CYS97 4.8 23.4 1.0 CE A:LYS174 4.9 21.9 1.0 CG A:LYS174 5.0 22.7 1.0 CE A:EEM402 5.0 27.8 1.0 C2' A:EEM402 5.0 21.1 1.0

Iron binding site 4 out of 4 in the Spore Photoproduct Lyase C140S Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Spore Photoproduct Lyase C140S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:22.4 occ:1.00 FE4 A:SF4401 0.0 22.4 1.0 S2 A:SF4401 2.3 22.6 1.0 S1 A:SF4401 2.3 23.5 1.0 S3 A:SF4401 2.3 23.8 1.0 SG A:CYS90 2.3 22.0 1.0 FE2 A:SF4401 2.7 22.6 1.0 FE3 A:SF4401 2.7 21.2 1.0 FE1 A:SF4401 2.7 22.1 1.0 CB A:CYS90 3.1 22.1 1.0 N A:EEM402 3.7 24.0 1.0 S4 A:SF4401 3.8 24.1 1.0 CA A:GLY92 4.3 23.9 1.0 N A:GLY92 4.4 24.2 1.0 CA A:CYS90 4.6 22.3 1.0 C A:GLY92 4.7 23.6 1.0 SG A:CYS97 4.7 23.4 1.0 CB A:ASP143 4.8 22.4 1.0 SG A:CYS94 4.8 21.6 1.0 O A:GLY92 4.8 23.3 1.0 O A:EEM402 4.8 23.5 1.0 OD1 A:ASP143 5.0 21.2 1.0

A.Benjdia, K.Heil, T.R.Barends, T.Carell, I.Schlichting. Structural Insights Into Recognition and Repair of Uv-Dna Damage By Spore Photoproduct Lyase, A Radical Sam Enzyme. Nucleic Acids Res. V. 40 9308 2012.
ISSN: ISSN 0305-1048
PubMed: 22761404
DOI: 10.1093/NAR/GKS603