Iron in PDB 4rh0: Spore Photoproduct Lyase C140A/S76C Mutant with Bound Adomet

All present enzymatic activity of Spore Photoproduct Lyase C140A/S76C Mutant with Bound Adomet:
4.1.99.14;

The structure of Spore Photoproduct Lyase C140A/S76C Mutant with Bound Adomet, PDB code: 4rh0 was solved by A.Benjdia, K.Heil, A.Winkler, T.Carell, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.12 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.050, 63.000, 143.020, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23

The binding sites of Iron atom in the Spore Photoproduct Lyase C140A/S76C Mutant with Bound Adomet (pdb code 4rh0). 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/S76C Mutant with Bound Adomet, PDB code: 4rh0:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Spore Photoproduct Lyase C140A/S76C Mutant with Bound Adomet


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/S76C Mutant with Bound Adomet within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe409 b:20.2 occ:1.00 FE1 A:SF4409 0.0 20.2 1.0 S2 A:SF4409 2.1 22.8 1.0 S4 A:SF4409 2.1 23.6 1.0 S3 A:SF4409 2.1 23.5 1.0 SG A:CYS94 2.2 19.1 1.0 CB A:CYS94 2.9 19.6 1.0 FE2 A:SF4409 3.0 21.5 1.0 FE4 A:SF4409 3.0 20.3 1.0 FE3 A:SF4409 3.0 21.0 1.0 S1 A:SF4409 3.7 23.5 1.0 NZ A:LYS174 3.8 20.8 1.0 N A:CYS94 3.9 20.2 1.0 CA A:CYS94 4.0 20.0 1.0 CD A:LYS174 4.1 20.9 1.0 O A:EEM401 4.3 23.0 1.0 CE A:LYS174 4.3 20.7 1.0 CG2 A:THR209 4.5 24.1 1.0 CB A:CYS97 4.7 19.7 1.0 SG A:CYS97 4.9 19.1 1.0 CA A:GLY92 4.9 21.8 1.0 OH A:TYR96 4.9 18.9 1.0 N A:HIS93 4.9 20.8 1.0 C A:GLY92 5.0 21.1 1.0

Iron binding site 2 out of 4 in the Spore Photoproduct Lyase C140A/S76C Mutant with Bound Adomet


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/S76C Mutant with Bound Adomet within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe409 b:21.5 occ:1.00 FE2 A:SF4409 0.0 21.5 1.0 S1 A:SF4409 2.1 23.5 1.0 S3 A:SF4409 2.1 23.5 1.0 S4 A:SF4409 2.1 23.6 1.0 SG A:CYS97 2.2 19.1 1.0 CB A:CYS97 3.0 19.7 1.0 FE1 A:SF4409 3.0 20.2 1.0 FE3 A:SF4409 3.1 21.0 1.0 FE4 A:SF4409 3.1 20.3 1.0 S2 A:SF4409 3.7 22.8 1.0 CA A:CYS97 4.1 20.1 1.0 O A:HOH576 4.1 25.1 1.0 CD1 A:LEU99 4.2 26.5 1.0 CG A:LEU99 4.5 26.2 1.0 CB A:CYS94 4.6 19.6 1.0 SE A:EEM401 4.7 25.8 1.0 CE A:EEM401 4.8 26.2 1.0 SG A:CYS94 4.9 19.1 1.0 C A:CYS97 4.9 21.1 1.0 N A:EEM401 5.0 23.4 1.0 CB A:LEU99 5.0 25.8 1.0

Iron binding site 3 out of 4 in the Spore Photoproduct Lyase C140A/S76C Mutant with Bound Adomet


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/S76C Mutant with Bound Adomet within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe409 b:21.0 occ:1.00 FE3 A:SF4409 0.0 21.0 1.0 S2 A:SF4409 2.1 22.8 1.0 S1 A:SF4409 2.1 23.5 1.0 S4 A:SF4409 2.1 23.6 1.0 SG A:CYS90 2.2 19.2 1.0 CB A:CYS90 2.9 19.6 1.0 FE4 A:SF4409 3.0 20.3 1.0 FE1 A:SF4409 3.0 20.2 1.0 FE2 A:SF4409 3.1 21.5 1.0 S3 A:SF4409 3.7 23.5 1.0 N A:EEM401 3.9 23.4 1.0 CA A:GLY92 4.1 21.8 1.0 N A:GLY92 4.2 22.2 1.0 CA A:CYS90 4.4 20.2 1.0 C A:GLY92 4.5 21.1 1.0 CB A:ASP143 4.6 21.4 1.0 O A:GLY92 4.7 20.3 1.0 C A:CYS90 4.8 20.9 1.0 OD1 A:ASP143 4.9 20.7 1.0 O A:EEM401 5.0 23.0 1.0 SG A:CYS97 5.0 19.1 1.0

Iron binding site 4 out of 4 in the Spore Photoproduct Lyase C140A/S76C Mutant with Bound Adomet


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/S76C Mutant with Bound Adomet within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe409 b:20.3 occ:1.00 FE4 A:SF4409 0.0 20.3 1.0 S3 A:SF4409 2.1 23.5 1.0 S1 A:SF4409 2.1 23.5 1.0 S2 A:SF4409 2.1 22.8 1.0 O A:EEM401 2.2 23.0 1.0 N A:EEM401 2.3 23.4 1.0 C A:EEM401 2.9 23.1 1.0 CA A:EEM401 3.0 23.3 1.0 FE3 A:SF4409 3.0 21.0 1.0 FE1 A:SF4409 3.0 20.2 1.0 FE2 A:SF4409 3.1 21.5 1.0 SE A:EEM401 3.5 25.8 1.0 CG A:EEM401 3.5 24.4 1.0 S4 A:SF4409 3.7 23.6 1.0 CB A:EEM401 3.8 24.1 1.0 NZ A:LYS174 3.8 20.8 1.0 OXT A:EEM401 4.1 22.2 1.0 OD1 A:ASP143 4.4 20.7 1.0 CD A:LYS174 4.7 20.9 1.0 SG A:CYS90 4.8 19.2 1.0 CE A:EEM401 4.8 26.2 1.0 C2' A:EEM401 4.8 21.3 1.0 CE A:LYS174 4.9 20.7 1.0 CG A:LYS174 4.9 20.8 1.0 SG A:CYS94 5.0 19.1 1.0 C3' A:EEM401 5.0 21.5 1.0

A.Benjdia, K.Heil, A.Winkler, T.Carell, I.Schlichting. Rescuing Dna Repair Activity By Rewiring the H-Atom Transfer Pathway in the Radical Sam Enzyme, Spore Photoproduct Lyase. Chem.Commun.(Camb.) V. 50 14201 2014.
ISSN: ISSN 1359-7345
PubMed: 25285338
DOI: 10.1039/C4CC05158K