Iron in PDB 1rrq: Muty Adenine Glycosylase in Complex with Dna Containing An A:Oxog Pair

The structure of Muty Adenine Glycosylase in Complex with Dna Containing An A:Oxog Pair, PDB code: 1rrq was solved by J.C.Fromme, A.Banerjee, S.J.Huang, G.L.Verdine, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.69 / 2.22
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.763, 85.699, 142.088, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 26.2

The structure of Muty Adenine Glycosylase in Complex with Dna Containing An A:Oxog Pair also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iron atom in the Muty Adenine Glycosylase in Complex with Dna Containing An A:Oxog Pair (pdb code 1rrq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Muty Adenine Glycosylase in Complex with Dna Containing An A:Oxog Pair, PDB code: 1rrq:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Muty Adenine Glycosylase in Complex with Dna Containing An A:Oxog Pair


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Muty Adenine Glycosylase in Complex with Dna Containing An A:Oxog Pair within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:32.3 occ:1.00 FE1 A:SF4400 0.0 32.3 1.0 S2 A:SF4400 2.1 33.8 1.0 S4 A:SF4400 2.2 33.1 1.0 SG A:CYS208 2.3 37.7 1.0 S3 A:SF4400 2.4 32.9 1.0 FE3 A:SF4400 2.6 33.1 1.0 FE2 A:SF4400 2.7 30.7 1.0 FE4 A:SF4400 2.7 31.7 1.0 CB A:CYS208 3.0 32.9 1.0 S1 A:SF4400 3.8 31.4 1.0 CA A:CYS205 4.3 33.9 1.0 CG2 A:VAL210 4.5 32.7 1.0 CA A:CYS208 4.5 36.5 1.0 CA A:GLN211 4.6 42.3 1.0 CB A:CYS198 4.7 21.7 1.0 CB A:CYS205 4.7 33.3 1.0 N A:GLN211 4.7 37.9 1.0 CG1 A:VAL197 4.8 25.0 1.0 SG A:CYS205 4.8 31.4 1.0 O A:CYS205 4.9 33.0 1.0 CB A:CYS214 4.9 40.5 1.0 SG A:CYS198 4.9 26.5 1.0 C A:VAL210 5.0 36.5 1.0 SG A:CYS214 5.0 43.1 1.0

Iron binding site 2 out of 4 in the Muty Adenine Glycosylase in Complex with Dna Containing An A:Oxog Pair


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Muty Adenine Glycosylase in Complex with Dna Containing An A:Oxog Pair within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:30.7 occ:1.00 FE2 A:SF4400 0.0 30.7 1.0 S3 A:SF4400 2.2 32.9 1.0 S1 A:SF4400 2.3 31.4 1.0 S4 A:SF4400 2.3 33.1 1.0 SG A:CYS198 2.5 26.5 1.0 FE4 A:SF4400 2.6 31.7 1.0 FE1 A:SF4400 2.7 32.3 1.0 FE3 A:SF4400 2.8 33.1 1.0 CB A:CYS198 3.0 21.7 1.0 S2 A:SF4400 3.7 33.8 1.0 CA A:CYS198 3.9 25.4 1.0 CD A:ARG153 4.1 29.5 1.0 CB A:ARG153 4.5 33.7 1.0 NH1 A:ARG153 4.5 29.5 1.0 SG A:CYS208 4.7 37.7 1.0 N A:CYS198 4.8 26.8 1.0 CB A:PRO203 4.8 32.9 1.0 SG A:CYS214 4.9 43.1 1.0 SG A:CYS205 4.9 31.4 1.0 CG A:ARG153 4.9 30.8 1.0

Iron binding site 3 out of 4 in the Muty Adenine Glycosylase in Complex with Dna Containing An A:Oxog Pair


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Muty Adenine Glycosylase in Complex with Dna Containing An A:Oxog Pair within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:33.1 occ:1.00 FE3 A:SF4400 0.0 33.1 1.0 S2 A:SF4400 2.0 33.8 1.0 S4 A:SF4400 2.2 33.1 1.0 S1 A:SF4400 2.3 31.4 1.0 SG A:CYS205 2.3 31.4 1.0 FE4 A:SF4400 2.6 31.7 1.0 FE1 A:SF4400 2.6 32.3 1.0 FE2 A:SF4400 2.8 30.7 1.0 CB A:CYS205 3.0 33.3 1.0 CA A:CYS205 3.3 33.9 1.0 N A:CYS205 3.8 34.6 1.0 S3 A:SF4400 3.9 32.9 1.0 CB A:PRO203 4.3 32.9 1.0 CB A:ALA222 4.5 46.7 1.0 C A:CYS205 4.6 33.4 1.0 CB A:CYS208 4.6 32.9 1.0 CG A:PRO203 4.7 34.3 1.0 SG A:CYS208 4.8 37.7 1.0 C A:SER204 4.8 35.7 1.0 SG A:CYS214 4.9 43.1 1.0 SG A:CYS198 4.9 26.5 1.0 O A:CYS205 4.9 33.0 1.0 CB A:PHE217 4.9 43.1 1.0

Iron binding site 4 out of 4 in the Muty Adenine Glycosylase in Complex with Dna Containing An A:Oxog Pair


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Muty Adenine Glycosylase in Complex with Dna Containing An A:Oxog Pair within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:31.7 occ:1.00 FE4 A:SF4400 0.0 31.7 1.0 S2 A:SF4400 2.2 33.8 1.0 S1 A:SF4400 2.2 31.4 1.0 S3 A:SF4400 2.3 32.9 1.0 SG A:CYS214 2.5 43.1 1.0 FE2 A:SF4400 2.6 30.7 1.0 FE3 A:SF4400 2.6 33.1 1.0 FE1 A:SF4400 2.7 32.3 1.0 CB A:CYS214 3.2 40.5 1.0 S4 A:SF4400 3.7 33.1 1.0 CB A:ARG153 4.4 33.7 1.0 CD2 A:LEU154 4.5 37.7 1.0 CB A:PHE217 4.5 43.1 1.0 SG A:CYS205 4.6 31.4 1.0 CA A:CYS214 4.7 44.7 1.0 N A:PHE217 4.9 41.5 1.0 SG A:CYS208 4.9 37.7 1.0 SG A:CYS198 4.9 26.5 1.0 CB A:ALA222 4.9 46.7 1.0

J.C.Fromme, A.Banerjee, S.J.Huang, G.L.Verdine. Structural Basis For Removal of Adenine Mispaired with 8-Oxoguanine By Muty Adenine Dna Glycosylase Nature V. 427 652 2004.
ISSN: ISSN 0028-0836
PubMed: 14961129
DOI: 10.1038/NATURE02306