Iron in PDB 1rrs: Muty Adenine Glycosylase in Complex with Dna Containing An Abasic Site

The structure of Muty Adenine Glycosylase in Complex with Dna Containing An Abasic Site, PDB code: 1rrs 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)	36.58 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.758, 85.539, 141.163, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 27.5

The structure of Muty Adenine Glycosylase in Complex with Dna Containing An Abasic Site 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 Abasic Site (pdb code 1rrs). 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 Abasic Site, PDB code: 1rrs:
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 Abasic Site


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 Abasic Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:45.1 occ:1.00 FE1 A:SF4400 0.0 45.1 1.0 S4 A:SF4400 2.2 42.4 1.0 S2 A:SF4400 2.2 42.8 1.0 S3 A:SF4400 2.3 44.1 1.0 SG A:CYS208 2.5 45.7 1.0 FE3 A:SF4400 2.7 43.7 1.0 FE2 A:SF4400 2.7 43.8 1.0 FE4 A:SF4400 2.7 42.2 1.0 CB A:CYS208 3.0 49.1 1.0 S1 A:SF4400 3.9 42.7 1.0 CG2 A:VAL210 4.3 51.6 1.0 CA A:CYS205 4.5 44.6 1.0 CA A:CYS208 4.5 51.1 1.0 N A:GLN211 4.6 55.6 1.0 CA A:GLN211 4.7 58.7 1.0 CG1 A:VAL197 4.8 36.9 1.0 CB A:CYS198 4.8 36.6 1.0 C A:VAL210 4.8 53.5 1.0 CB A:CYS205 4.8 43.5 1.0 CB A:CYS214 4.9 58.3 1.0 SG A:CYS198 4.9 38.6 1.0 SG A:CYS205 5.0 41.4 1.0

Iron binding site 2 out of 4 in the Muty Adenine Glycosylase in Complex with Dna Containing An Abasic Site


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 Abasic Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:43.8 occ:1.00 FE2 A:SF4400 0.0 43.8 1.0 S3 A:SF4400 2.1 44.1 1.0 S1 A:SF4400 2.3 42.7 1.0 S4 A:SF4400 2.3 42.4 1.0 SG A:CYS198 2.5 38.6 1.0 FE4 A:SF4400 2.6 42.2 1.0 FE1 A:SF4400 2.7 45.1 1.0 FE3 A:SF4400 2.8 43.7 1.0 CB A:CYS198 3.2 36.6 1.0 S2 A:SF4400 3.6 42.8 1.0 CA A:CYS198 3.9 34.9 1.0 CD A:ARG153 4.0 36.7 1.0 NH1 A:ARG153 4.3 29.7 1.0 CB A:ARG153 4.4 41.0 1.0 CB A:PRO203 4.7 44.0 1.0 N A:CYS198 4.8 36.4 1.0 CG A:ARG153 4.8 38.0 1.0 SG A:CYS214 4.8 58.2 1.0 SG A:CYS205 4.9 41.4 1.0 NE A:ARG153 4.9 36.0 1.0 SG A:CYS208 5.0 45.7 1.0

Iron binding site 3 out of 4 in the Muty Adenine Glycosylase in Complex with Dna Containing An Abasic Site


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 Abasic Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:43.7 occ:1.00 FE3 A:SF4400 0.0 43.7 1.0 S2 A:SF4400 2.0 42.8 1.0 S4 A:SF4400 2.2 42.4 1.0 S1 A:SF4400 2.3 42.7 1.0 SG A:CYS205 2.5 41.4 1.0 FE4 A:SF4400 2.7 42.2 1.0 FE1 A:SF4400 2.7 45.1 1.0 FE2 A:SF4400 2.8 43.8 1.0 CB A:CYS205 3.0 43.5 1.0 CA A:CYS205 3.4 44.6 1.0 S3 A:SF4400 3.8 44.1 1.0 N A:CYS205 4.0 44.5 1.0 CB A:PRO203 4.4 44.0 1.0 C A:CYS205 4.6 44.7 1.0 CB A:CYS208 4.6 49.1 1.0 CB A:ALA222 4.7 47.0 1.0 SG A:CYS214 4.7 58.2 1.0 CG A:PRO203 4.8 44.1 1.0 CB A:PHE217 4.8 56.8 1.0 C A:SER204 4.9 45.6 1.0 O A:CYS205 4.9 43.0 1.0 SG A:CYS208 5.0 45.7 1.0

Iron binding site 4 out of 4 in the Muty Adenine Glycosylase in Complex with Dna Containing An Abasic Site


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 Abasic Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:42.2 occ:1.00 FE4 A:SF4400 0.0 42.2 1.0 S2 A:SF4400 2.1 42.8 1.0 S1 A:SF4400 2.3 42.7 1.0 S3 A:SF4400 2.3 44.1 1.0 SG A:CYS214 2.5 58.2 1.0 FE2 A:SF4400 2.6 43.8 1.0 FE3 A:SF4400 2.7 43.7 1.0 FE1 A:SF4400 2.7 45.1 1.0 CB A:CYS214 3.0 58.3 1.0 S4 A:SF4400 3.8 42.4 1.0 CD2 A:LEU154 4.3 47.6 1.0 CB A:ARG153 4.4 41.0 1.0 CA A:CYS214 4.5 59.6 1.0 CB A:PHE217 4.6 56.8 1.0 SG A:CYS205 4.9 41.4 1.0 SG A:CYS198 4.9 38.6 1.0 N A:PHE217 4.9 54.5 1.0 N A:LEU154 4.9 45.1 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