Iron in PDB 4fhe: Spore Photoproduct Lyase C140A Mutant

The structure of Spore Photoproduct Lyase C140A Mutant, PDB code: 4fhe 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)	43.17 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.020, 63.030, 143.620, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 25.6

The binding sites of Iron atom in the Spore Photoproduct Lyase C140A Mutant (pdb code 4fhe). 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 C140A Mutant, PDB code: 4fhe:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Spore Photoproduct Lyase C140A 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 C140A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:22.8 occ:1.00 FE1 A:SF4401 0.0 22.8 1.0 S4 A:SF4401 2.3 22.4 1.0 S2 A:SF4401 2.3 23.9 1.0 S3 A:SF4401 2.3 22.8 1.0 SG A:CYS90 2.3 23.1 1.0 FE3 A:SF4401 2.7 22.6 1.0 FE4 A:SF4401 2.7 23.5 1.0 FE2 A:SF4401 2.7 22.3 1.0 CB A:CYS90 3.1 23.5 1.0 N A:EEM407 3.7 29.4 1.0 S1 A:SF4401 3.9 22.7 1.0 CA A:GLY92 4.2 23.5 1.0 N A:GLY92 4.3 23.7 1.0 CA A:CYS90 4.6 23.6 1.0 C A:GLY92 4.6 23.2 1.0 CB A:ASP143 4.7 24.6 1.0 O A:GLY92 4.7 22.9 1.0 SG A:CYS94 4.8 21.7 1.0 SG A:CYS97 4.8 24.7 1.0 O A:EEM407 4.8 29.2 1.0

Iron binding site 2 out of 4 in the Spore Photoproduct Lyase C140A 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 C140A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:22.3 occ:1.00 FE2 A:SF4401 0.0 22.3 1.0 SG A:CYS94 2.2 21.7 1.0 S4 A:SF4401 2.3 22.4 1.0 S3 A:SF4401 2.3 22.8 1.0 S1 A:SF4401 2.3 22.7 1.0 FE4 A:SF4401 2.7 23.5 1.0 FE1 A:SF4401 2.7 22.8 1.0 FE3 A:SF4401 2.7 22.6 1.0 CB A:CYS94 3.0 22.5 1.0 NZ A:LYS174 3.7 24.4 1.0 S2 A:SF4401 3.9 23.9 1.0 N A:CYS94 4.0 22.6 1.0 CA A:CYS94 4.1 22.6 1.0 O A:EEM407 4.2 29.2 1.0 CD A:LYS174 4.3 24.9 1.0 CE A:LYS174 4.4 24.5 1.0 CG2 A:THR209 4.6 26.4 1.0 SG A:CYS97 4.6 24.7 1.0 CB A:CYS97 4.7 25.0 1.0 N A:EEM407 4.8 29.4 1.0 SG A:CYS90 4.9 23.1 1.0

Iron binding site 3 out of 4 in the Spore Photoproduct Lyase C140A 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 C140A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:22.6 occ:1.00 FE3 A:SF4401 0.0 22.6 1.0 N A:EEM407 2.2 29.4 1.0 S2 A:SF4401 2.3 23.9 1.0 S1 A:SF4401 2.3 22.7 1.0 S4 A:SF4401 2.3 22.4 1.0 O A:EEM407 2.4 29.2 1.0 FE1 A:SF4401 2.7 22.8 1.0 FE2 A:SF4401 2.7 22.3 1.0 FE4 A:SF4401 2.8 23.5 1.0 C A:EEM407 3.1 29.3 1.0 CA A:EEM407 3.1 29.4 1.0 SE A:EEM407 3.6 30.7 1.0 CG A:EEM407 3.7 29.6 1.0 NZ A:LYS174 3.7 24.4 1.0 S3 A:SF4401 3.9 22.8 1.0 CB A:EEM407 3.9 29.5 1.0 OXT A:EEM407 4.3 29.1 1.0 OD1 A:ASP143 4.5 24.2 1.0 SG A:CYS90 4.6 23.1 1.0 CE A:EEM407 4.7 30.6 1.0 SG A:CYS94 4.7 21.7 1.0 CD A:LYS174 4.8 24.9 1.0 CE A:LYS174 4.9 24.5 1.0 SG A:CYS97 4.9 24.7 1.0 CB A:ASP143 5.0 24.6 1.0

Iron binding site 4 out of 4 in the Spore Photoproduct Lyase C140A 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 C140A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:23.5 occ:1.00 FE4 A:SF4401 0.0 23.5 1.0 SG A:CYS97 2.3 24.7 1.0 S2 A:SF4401 2.3 23.9 1.0 S1 A:SF4401 2.3 22.7 1.0 S3 A:SF4401 2.3 22.8 1.0 FE2 A:SF4401 2.7 22.3 1.0 FE1 A:SF4401 2.7 22.8 1.0 FE3 A:SF4401 2.8 22.6 1.0 CB A:CYS97 3.2 25.0 1.0 S4 A:SF4401 3.9 22.4 1.0 CA A:CYS97 4.3 25.0 1.0 O A:HOH621 4.3 29.2 1.0 CD1 A:LEU99 4.5 28.9 1.0 CB A:CYS94 4.5 22.5 1.0 N A:EEM407 4.6 29.4 1.0 SG A:CYS94 4.7 21.7 1.0 SE A:EEM407 4.7 30.7 1.0 CE A:EEM407 4.8 30.6 1.0 CG A:LEU99 4.8 28.4 1.0 SG A:CYS90 4.9 23.1 1.0 CB A:CYS90 4.9 23.5 1.0 O A:EEM407 4.9 29.2 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