Iron in PDB 6y42: Crystal Structure of Rsrr Complexed to A 39 Basepair Dna Fragment of the Rsrr Promoter

The structure of Crystal Structure of Rsrr Complexed to A 39 Basepair Dna Fragment of the Rsrr Promoter, PDB code: 6y42 was solved by A.Volbeda, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.34 / 4.30
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	197.370, 197.370, 73.190, 90.00, 90.00, 120.00
R / Rfree (%)	26.7 / 30

The binding sites of Iron atom in the Crystal Structure of Rsrr Complexed to A 39 Basepair Dna Fragment of the Rsrr Promoter (pdb code 6y42). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Rsrr Complexed to A 39 Basepair Dna Fragment of the Rsrr Promoter, PDB code: 6y42:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Rsrr Complexed to A 39 Basepair Dna Fragment of the Rsrr Promoter


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Rsrr Complexed to A 39 Basepair Dna Fragment of the Rsrr Promoter within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:0.2 occ:1.00 FE1 A:FES201 0.0 0.2 1.0 OE2 B:GLU8 2.0 0.0 1.0 S1 A:FES201 2.2 0.1 1.0 S2 A:FES201 2.2 0.4 1.0 SG A:CYS90 2.3 0.7 1.0 FE2 A:FES201 2.7 1.0 1.0 CD B:GLU8 2.9 0.0 1.0 CB A:CYS90 3.4 0.8 1.0 CG B:GLU8 3.6 0.0 1.0 NE2 B:HIS12 3.6 0.5 1.0 OE1 B:GLU8 3.7 0.8 1.0 CA A:CYS90 3.7 0.8 1.0 CD2 B:HIS12 4.0 0.8 1.0 N A:GLU92 4.1 0.4 1.0 N A:THR91 4.2 0.7 1.0 C A:CYS90 4.2 0.6 1.0 CA A:GLU92 4.6 0.0 1.0 CB A:ALA113 4.6 0.9 1.0 CE1 B:HIS12 4.8 0.7 1.0 CB A:CYS110 4.8 0.7 1.0 N A:ILE93 4.8 0.7 1.0 CB B:GLU8 4.9 0.8 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Rsrr Complexed to A 39 Basepair Dna Fragment of the Rsrr Promoter


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Rsrr Complexed to A 39 Basepair Dna Fragment of the Rsrr Promoter within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:1.0 occ:1.00 FE2 A:FES201 0.0 1.0 1.0 NE2 B:HIS12 2.1 0.5 1.0 S1 A:FES201 2.2 0.1 1.0 S2 A:FES201 2.2 0.4 1.0 SG A:CYS110 2.3 1.0 1.0 CB A:CYS110 2.7 0.7 1.0 FE1 A:FES201 2.7 0.2 1.0 CE1 B:HIS12 2.9 0.7 1.0 CD2 B:HIS12 3.2 0.8 1.0 ND1 B:HIS12 4.1 0.3 1.0 CA A:CYS110 4.1 0.2 1.0 SG A:CYS90 4.2 0.7 1.0 OE2 B:GLU8 4.2 0.0 1.0 CG B:HIS12 4.2 0.8 1.0 CB A:ILE112 4.4 0.8 1.0 O A:CYS110 4.5 0.6 1.0 C A:CYS110 4.5 0.7 1.0 N A:ALA113 4.6 0.8 1.0 CB A:ALA113 4.8 0.9 1.0 N A:CYS110 5.0 0.1 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Rsrr Complexed to A 39 Basepair Dna Fragment of the Rsrr Promoter


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Rsrr Complexed to A 39 Basepair Dna Fragment of the Rsrr Promoter within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:0.3 occ:1.00 FE1 A:FES202 0.0 0.3 1.0 OE2 A:GLU8 2.0 0.2 1.0 S1 A:FES202 2.2 0.4 1.0 S2 A:FES202 2.2 0.4 1.0 SG B:CYS90 2.3 0.9 1.0 FE2 A:FES202 2.8 0.6 1.0 CD A:GLU8 3.0 0.9 1.0 CB B:CYS90 3.5 0.6 1.0 OE1 A:GLU8 3.8 0.9 1.0 CG A:GLU8 3.8 0.5 1.0 CA B:CYS90 3.9 0.5 1.0 N B:GLU92 4.0 0.2 1.0 NE2 A:HIS12 4.0 0.2 1.0 CA B:GLU92 4.2 0.7 1.0 N B:THR91 4.3 0.2 1.0 CD2 A:HIS12 4.4 0.7 1.0 C B:CYS90 4.4 0.8 1.0 N B:ILE93 4.5 0.1 1.0 SG B:CYS110 4.7 0.1 1.0 CB B:CYS110 4.8 0.9 1.0 CG1 B:ILE93 4.8 0.1 1.0 C B:GLU92 4.9 0.9 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Rsrr Complexed to A 39 Basepair Dna Fragment of the Rsrr Promoter


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Rsrr Complexed to A 39 Basepair Dna Fragment of the Rsrr Promoter within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:0.6 occ:1.00 FE2 A:FES202 0.0 0.6 1.0 NE2 A:HIS12 2.1 0.2 1.0 S1 A:FES202 2.2 0.4 1.0 S2 A:FES202 2.2 0.4 1.0 SG B:CYS110 2.3 0.1 1.0 FE1 A:FES202 2.8 0.3 1.0 CE1 A:HIS12 3.1 0.2 1.0 CD2 A:HIS12 3.1 0.7 1.0 CB B:CYS110 3.2 0.9 1.0 OE2 A:GLU8 4.0 0.2 1.0 ND1 A:HIS12 4.2 0.6 1.0 CD1 B:ILE112 4.2 0.1 1.0 CG A:HIS12 4.2 0.4 1.0 CB B:ILE112 4.2 0.6 1.0 SG B:CYS90 4.4 0.9 1.0 CG1 B:ILE112 4.6 0.6 1.0 CA B:CYS110 4.6 0.8 1.0 CG2 B:ILE112 4.8 0.9 1.0 CD A:GLU8 4.9 0.9 1.0 CG A:GLU8 5.0 0.5 1.0

J.C.Crack, P.Amara, A.Volbeda, J.M.Mouesca, R.Rohac, M.T.Pellicer Martinez, C.Y.Huang, O.Gigarel, C.Rinaldi, N.E.Le Brun, J.C.Fontecilla-Camps. Electron and Proton Transfers Modulate Dna Binding By the Transcription Regulator Rsrr. J.Am.Chem.Soc. 2020.
ISSN: ESSN 1520-5126
PubMed: 32078310
DOI: 10.1021/JACS.9B12250