Iron in PDB 3g0q: Crystal Structure of Muty Bound to Its Inhibitor Dna

The structure of Crystal Structure of Muty Bound to Its Inhibitor Dna, PDB code: 3g0q was solved by S.Lee, G.L.Verdine, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.700, 85.900, 142.100, 90.00, 90.00, 90.00
R / Rfree (%)	24.6 / 27.7

The structure of Crystal Structure of Muty Bound to Its Inhibitor Dna also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iron atom in the Crystal Structure of Muty Bound to Its Inhibitor Dna (pdb code 3g0q). 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 Muty Bound to Its Inhibitor Dna, PDB code: 3g0q:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Muty Bound to Its Inhibitor Dna


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 Muty Bound to Its Inhibitor Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:34.9 occ:1.00 FE1 A:SF4400 0.0 34.9 1.0 S2 A:SF4400 2.2 36.9 1.0 S3 A:SF4400 2.2 35.4 1.0 S4 A:SF4400 2.3 36.7 1.0 SG A:CYS214 2.5 43.6 1.0 FE2 A:SF4400 2.6 35.9 1.0 FE4 A:SF4400 2.7 36.3 1.0 FE3 A:SF4400 2.7 36.2 1.0 CB A:CYS214 3.1 45.1 1.0 S1 A:SF4400 3.8 37.5 1.0 CB A:PHE217 4.5 44.4 1.0 CD2 A:LEU154 4.5 40.9 1.0 CA A:CYS214 4.6 46.9 1.0 CB A:ARG153 4.6 39.2 1.0 SG A:CYS205 4.7 35.8 1.0 N A:PHE217 4.8 44.3 1.0 SG A:CYS208 4.8 42.1 1.0 SG A:CYS198 4.9 36.6 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Muty Bound to Its Inhibitor Dna


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 Muty Bound to Its Inhibitor Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:35.9 occ:1.00 FE2 A:SF4400 0.0 35.9 1.0 S4 A:SF4400 2.1 36.7 1.0 S3 A:SF4400 2.2 35.4 1.0 S1 A:SF4400 2.3 37.5 1.0 SG A:CYS198 2.5 36.6 1.0 FE3 A:SF4400 2.6 36.2 1.0 FE1 A:SF4400 2.6 34.9 1.0 FE4 A:SF4400 2.7 36.3 1.0 CB A:CYS198 3.2 34.5 1.0 S2 A:SF4400 3.6 36.9 1.0 CA A:CYS198 3.9 35.0 1.0 CD A:ARG153 4.2 34.8 1.0 CB A:ARG153 4.5 39.2 1.0 NH1 A:ARG153 4.7 31.9 1.0 SG A:CYS208 4.7 42.1 1.0 CB A:PRO203 4.7 47.0 1.0 SG A:CYS205 4.7 35.8 1.0 N A:CYS198 4.8 34.1 1.0 SG A:CYS214 4.9 43.6 1.0 CG A:ARG153 5.0 38.3 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Muty Bound to Its Inhibitor Dna


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 Muty Bound to Its Inhibitor Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:36.2 occ:1.00 FE3 A:SF4400 0.0 36.2 1.0 S2 A:SF4400 2.1 36.9 1.0 S1 A:SF4400 2.2 37.5 1.0 S4 A:SF4400 2.3 36.7 1.0 SG A:CYS208 2.4 42.1 1.0 FE2 A:SF4400 2.6 35.9 1.0 FE4 A:SF4400 2.6 36.3 1.0 FE1 A:SF4400 2.7 34.9 1.0 CB A:CYS208 3.0 40.2 1.0 S3 A:SF4400 3.7 35.4 1.0 CA A:CYS205 4.4 38.1 1.0 CA A:CYS208 4.4 42.9 1.0 CG2 A:VAL210 4.5 39.4 1.0 CA A:GLN211 4.7 48.1 1.0 N A:GLN211 4.7 43.8 1.0 SG A:CYS205 4.8 35.8 1.0 CB A:CYS198 4.8 34.5 1.0 SG A:CYS198 4.8 36.6 1.0 CG1 A:VAL197 4.8 36.0 1.0 CB A:CYS205 4.8 35.5 1.0 CB A:CYS214 4.9 45.1 1.0 C A:VAL210 4.9 43.8 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Muty Bound to Its Inhibitor Dna


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 Muty Bound to Its Inhibitor Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:36.3 occ:1.00 FE4 A:SF4400 0.0 36.3 1.0 S2 A:SF4400 2.1 36.9 1.0 S1 A:SF4400 2.2 37.5 1.0 S3 A:SF4400 2.2 35.4 1.0 SG A:CYS205 2.3 35.8 1.0 FE3 A:SF4400 2.6 36.2 1.0 FE1 A:SF4400 2.7 34.9 1.0 FE2 A:SF4400 2.7 35.9 1.0 CB A:CYS205 3.1 35.5 1.0 CA A:CYS205 3.4 38.1 1.0 S4 A:SF4400 3.8 36.7 1.0 N A:CYS205 4.0 37.5 1.0 CB A:PRO203 4.4 47.0 1.0 CG A:PRO203 4.4 49.9 1.0 CB A:ALA222 4.5 45.8 1.0 CB A:CYS208 4.6 40.2 1.0 C A:CYS205 4.8 38.5 1.0 SG A:CYS214 4.8 43.6 1.0 SG A:CYS208 4.8 42.1 1.0 CB A:PHE217 4.8 44.4 1.0 C A:SER204 4.9 40.0 1.0 SG A:CYS198 4.9 36.6 1.0

S.Lee, G.L.Verdine. Atomic Substitution Reveals the Structural Basis For Substrate Adenine Recognition and Removal By Adenine Dna Glycosylase. Proc.Natl.Acad.Sci.Usa V. 106 18497 2009.
ISSN: ISSN 0027-8424
PubMed: 19841264
DOI: 10.1073/PNAS.0902908106