Iron in PDB 8dwd: Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine

The structure of Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine, PDB code: 8dwd was solved by L.P.Russelburg, M.Demir, S.S.David, M.P.Horvath, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.96 / 1.68
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.74, 85.92, 140.69, 90, 90, 90
R / Rfree (%)	22.2 / 24.5

The structure of Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Iron atom in the Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine (pdb code 8dwd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine, PDB code: 8dwd:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:36.2 occ:0.49 FE1 A:SF4401 0.0 36.2 0.5 FE2 A:SF4401 1.2 39.8 0.5 S4 A:SF4401 1.4 35.3 0.5 FE1 A:SF4401 1.7 39.4 0.5 S3 A:SF4401 2.2 47.6 0.5 S3 A:SF4401 2.3 45.3 0.5 S2 A:SF4401 2.3 37.3 0.5 S4 A:SF4401 2.3 38.2 0.5 SG A:CYS208 2.3 45.2 0.5 FE3 A:SF4401 2.5 33.6 0.5 FE3 A:SF4401 2.7 30.9 0.5 FE4 A:SF4401 2.7 41.9 0.5 FE2 A:SF4401 2.8 40.3 0.5 HB2 A:CYS208 2.9 50.4 0.5 FE4 A:SF4401 2.9 42.1 0.5 HB2 A:CYS208 3.0 50.5 0.5 SG A:CYS208 3.0 48.0 0.5 S1 A:SF4401 3.0 42.7 0.5 HB3 A:CYS208 3.2 50.4 0.5 CB A:CYS208 3.2 50.3 0.5 CB A:CYS208 3.2 50.8 0.5 HA A:CYS205 3.2 48.0 0.5 HA A:CYS205 3.2 48.0 0.5 SG A:CYS205 3.2 39.9 0.5 S2 A:SF4401 3.3 44.5 0.5 HB3 A:CYS208 3.4 50.5 0.5 S1 A:SF4401 3.9 42.6 0.5 HB2 A:CYS198 3.9 40.9 0.5 HG23 A:VAL210 4.0 55.0 1.0 CA A:CYS205 4.1 50.8 0.5 CA A:CYS205 4.1 51.0 0.5 HB3 A:CYS205 4.2 50.8 0.5 CB A:CYS205 4.2 54.1 0.5 HB2 A:CYS198 4.2 40.8 0.5 HA A:GLN211 4.3 63.2 1.0 HG12 A:VAL197 4.3 46.4 1.0 HB3 A:CYS205 4.3 50.6 0.5 HG11 A:VAL197 4.4 46.4 1.0 HB2 A:CYS214 4.4 56.1 0.6 SG A:CYS198 4.4 38.9 0.5 HB2 A:CYS214 4.5 56.0 0.4 CB A:CYS205 4.5 54.5 0.5 CA A:CYS208 4.6 52.7 0.5 SG A:CYS198 4.6 39.3 0.5 CB A:CYS198 4.7 36.5 0.5 HA A:CYS198 4.7 41.7 0.5 CA A:CYS208 4.7 52.6 0.5 HA A:CYS198 4.7 41.7 0.5 CB A:CYS198 4.8 36.3 0.5 SG A:CYS205 4.8 40.1 0.5 O A:CYS205 4.8 61.9 1.0 H A:VAL210 4.8 61.2 1.0 CG2 A:VAL210 4.8 48.6 1.0 HA A:CYS208 4.8 53.0 0.5 HG22 A:VAL210 4.8 55.0 1.0 SG A:CYS214 4.9 51.0 0.4 SG A:CYS214 4.9 43.1 0.6 CG1 A:VAL197 4.9 46.6 1.0 N A:CYS205 4.9 53.4 1.0 HB2 A:PRO203 4.9 40.7 1.0 HA A:CYS208 5.0 53.0 0.5 C A:CYS205 5.0 56.7 1.0 HD21 A:LEU193 5.0 46.6 1.0

Iron binding site 2 out of 8 in the Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:39.4 occ:0.51 FE1 A:SF4401 0.0 39.4 0.5 FE1 A:SF4401 1.7 36.2 0.5 SG A:CYS208 1.8 45.2 0.5 S2 A:SF4401 2.2 37.3 0.5 SG A:CYS208 2.2 48.0 0.5 S2 A:SF4401 2.3 44.5 0.5 S3 A:SF4401 2.3 47.6 0.5 S4 A:SF4401 2.3 35.3 0.5 HG23 A:VAL210 2.3 55.0 1.0 FE2 A:SF4401 2.7 39.8 0.5 FE3 A:SF4401 2.7 33.6 0.5 FE4 A:SF4401 2.7 42.1 0.5 CG2 A:VAL210 3.1 48.6 1.0 HG22 A:VAL210 3.2 55.0 1.0 CB A:CYS208 3.3 50.3 0.5 CB A:CYS208 3.4 50.8 0.5 HB2 A:CYS208 3.4 50.4 0.5 S3 A:SF4401 3.4 45.3 0.5 HB3 A:CYS208 3.4 50.4 0.5 FE4 A:SF4401 3.5 41.9 0.5 HG21 A:VAL210 3.5 55.0 1.0 HB3 A:CYS208 3.6 50.5 0.5 H A:VAL210 3.6 61.2 1.0 HB2 A:CYS208 3.6 50.5 0.5 FE3 A:SF4401 3.7 30.9 0.5 HD21 A:LEU193 3.7 46.6 1.0 S4 A:SF4401 3.8 38.2 0.5 S1 A:SF4401 3.9 42.7 0.5 C A:VAL210 4.1 53.8 1.0 HB2 A:CYS214 4.1 56.1 0.6 HA A:GLN211 4.1 63.2 1.0 O A:VAL210 4.2 59.1 1.0 HD23 A:LEU154 4.2 50.2 1.0 HB2 A:CYS214 4.2 56.0 0.4 HB2 A:CYS198 4.2 40.9 0.5 HD11 A:LEU193 4.2 48.5 1.0 CB A:VAL210 4.3 54.3 1.0 N A:VAL210 4.3 56.6 1.0 N A:GLN211 4.3 54.1 1.0 HB2 A:CYS198 4.4 40.8 0.5 FE2 A:SF4401 4.4 40.3 0.5 CA A:VAL210 4.4 56.7 1.0 HG11 A:VAL197 4.5 46.4 1.0 HA A:CYS205 4.6 48.0 0.5 HA A:CYS205 4.6 48.0 0.5 HB A:VAL210 4.6 57.6 1.0 CA A:CYS208 4.6 52.7 0.5 HD2 A:PRO209 4.6 52.2 1.0 H A:GLN211 4.6 57.5 1.0 HD21 A:LEU154 4.6 50.2 1.0 CA A:CYS208 4.7 52.6 0.5 CD2 A:LEU193 4.7 50.5 1.0 HA A:CYS208 4.7 53.0 0.5 CA A:GLN211 4.8 59.6 1.0 SG A:CYS198 4.8 38.9 0.5 CD2 A:LEU154 4.9 51.1 1.0 SG A:CYS205 4.9 39.9 0.5 HA A:CYS208 4.9 53.0 0.5 HG12 A:VAL197 4.9 46.4 1.0 CB A:CYS214 4.9 59.7 0.6 CB A:CYS214 5.0 59.6 0.4 SG A:CYS214 5.0 51.0 0.4 HG A:LEU193 5.0 42.3 1.0 C A:CYS208 5.0 52.6 1.0

Iron binding site 3 out of 8 in the Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:40.3 occ:0.49 FE2 A:SF4401 0.0 40.3 0.5 SG A:CYS205 0.9 39.9 0.5 FE2 A:SF4401 1.7 39.8 0.5 SG A:CYS205 2.3 40.1 0.5 S4 A:SF4401 2.3 38.2 0.5 S1 A:SF4401 2.3 42.6 0.5 S3 A:SF4401 2.3 45.3 0.5 CB A:CYS205 2.7 54.1 0.5 FE3 A:SF4401 2.7 30.9 0.5 FE4 A:SF4401 2.7 41.9 0.5 FE1 A:SF4401 2.8 36.2 0.5 S1 A:SF4401 2.8 42.7 0.5 HB3 A:CYS205 2.9 50.8 0.5 HA A:CYS205 2.9 48.0 0.5 CB A:CYS205 3.0 54.5 0.5 HA A:CYS205 3.1 48.0 0.5 HB2 A:PRO203 3.1 40.7 1.0 HB3 A:CYS205 3.2 50.6 0.5 HB2 A:CYS205 3.2 50.6 0.5 S4 A:SF4401 3.3 35.3 0.5 CA A:CYS205 3.4 51.0 0.5 CA A:CYS205 3.4 50.8 0.5 HB2 A:ALA222 3.7 52.4 1.0 HB1 A:ALA222 3.7 52.4 1.0 HB2 A:PHE217 3.7 64.0 1.0 S3 A:SF4401 3.8 47.6 0.5 FE3 A:SF4401 3.8 33.6 0.5 HB2 A:CYS205 3.9 50.8 0.5 S2 A:SF4401 3.9 37.3 0.5 N A:CYS205 3.9 53.4 1.0 H A:CYS205 3.9 53.6 0.5 H A:CYS205 3.9 53.6 0.5 CB A:PRO203 4.0 38.3 1.0 CB A:ALA222 4.1 47.0 1.0 HG2 A:PRO203 4.1 42.5 1.0 FE4 A:SF4401 4.2 42.1 0.5 HB2 A:CYS208 4.4 50.5 0.5 HB3 A:PRO203 4.4 40.7 1.0 FE1 A:SF4401 4.4 39.4 0.5 HB3 A:ALA222 4.4 52.4 1.0 CG A:PRO203 4.5 40.5 1.0 HB2 A:CYS208 4.5 50.4 0.5 HG3 A:PRO203 4.6 42.5 1.0 HA A:CYS198 4.7 41.7 0.5 HA A:CYS198 4.7 41.7 0.5 CB A:PHE217 4.7 63.7 1.0 HD3 A:ARG153 4.7 36.5 1.0 SG A:CYS214 4.7 43.1 0.6 C A:CYS205 4.7 56.7 1.0 HD1 A:PHE217 4.7 69.7 1.0 SG A:CYS198 4.8 39.3 0.5 C A:SER204 4.8 46.2 1.0 O A:PRO203 4.8 49.6 1.0 HB3 A:CYS208 4.8 50.4 0.5 C A:PRO203 4.8 49.5 1.0 SG A:CYS208 4.9 45.2 0.5 SG A:CYS198 5.0 38.9 0.5 CB A:CYS208 5.0 50.8 0.5

Iron binding site 4 out of 8 in the Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:39.8 occ:0.51 FE2 A:SF4401 0.0 39.8 0.5 FE1 A:SF4401 1.2 36.2 0.5 S3 A:SF4401 1.5 45.3 0.5 FE2 A:SF4401 1.7 40.3 0.5 FE4 A:SF4401 1.9 41.9 0.5 S3 A:SF4401 2.3 47.6 0.5 SG A:CYS205 2.3 39.9 0.5 S4 A:SF4401 2.3 35.3 0.5 S1 A:SF4401 2.3 42.7 0.5 S4 A:SF4401 2.4 38.2 0.5 FE3 A:SF4401 2.4 30.9 0.5 S2 A:SF4401 2.5 37.3 0.5 FE1 A:SF4401 2.7 39.4 0.5 FE3 A:SF4401 2.7 33.6 0.5 FE4 A:SF4401 2.7 42.1 0.5 S1 A:SF4401 2.9 42.6 0.5 HA A:CYS205 3.1 48.0 0.5 HA A:CYS205 3.2 48.0 0.5 HB3 A:CYS205 3.5 50.8 0.5 SG A:CYS208 3.5 45.2 0.5 CB A:CYS205 3.5 54.1 0.5 HB3 A:CYS205 3.7 50.6 0.5 HB2 A:CYS208 3.7 50.5 0.5 HB2 A:CYS208 3.7 50.4 0.5 HB3 A:CYS208 3.9 50.4 0.5 SG A:CYS205 3.9 40.1 0.5 CB A:CYS205 3.9 54.5 0.5 CA A:CYS205 3.9 50.8 0.5 S2 A:SF4401 3.9 44.5 0.5 CA A:CYS205 3.9 51.0 0.5 HB2 A:PHE217 4.0 64.0 1.0 CB A:CYS208 4.0 50.8 0.5 SG A:CYS214 4.1 43.1 0.6 HB3 A:CYS208 4.1 50.5 0.5 CB A:CYS208 4.1 50.3 0.5 HB2 A:CYS214 4.1 56.1 0.6 SG A:CYS208 4.2 48.0 0.5 SG A:CYS214 4.2 51.0 0.4 HB2 A:CYS214 4.2 56.0 0.4 HA A:GLN211 4.3 63.2 1.0 HB2 A:CYS205 4.3 50.6 0.5 HB2 A:PRO203 4.5 40.7 1.0 HB2 A:CYS198 4.5 40.9 0.5 CB A:CYS214 4.6 59.7 0.6 SG A:CYS198 4.6 38.9 0.5 CB A:CYS214 4.6 59.6 0.4 HB3 A:CYS214 4.6 56.0 0.4 HB3 A:CYS214 4.6 56.1 0.6 SG A:CYS198 4.7 39.3 0.5 N A:CYS205 4.8 53.4 1.0 HG23 A:VAL210 4.8 55.0 1.0 HB2 A:CYS205 4.8 50.8 0.5 HB2 A:CYS198 4.9 40.8 0.5 CB A:PHE217 4.9 63.7 1.0 HA A:CYS198 4.9 41.7 0.5 O A:CYS205 4.9 61.9 1.0 HB2 A:ALA222 4.9 52.4 1.0 C A:CYS205 4.9 56.7 1.0 HA A:CYS198 4.9 41.7 0.5 HB3 A:PHE217 5.0 64.0 1.0

Iron binding site 5 out of 8 in the Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:30.9 occ:0.49 FE3 A:SF4401 0.0 30.9 0.5 FE3 A:SF4401 1.6 33.6 0.5 S1 A:SF4401 1.9 42.7 0.5 SG A:CYS198 2.3 39.3 0.5 S1 A:SF4401 2.3 42.6 0.5 SG A:CYS198 2.3 38.9 0.5 S4 A:SF4401 2.3 38.2 0.5 S2 A:SF4401 2.3 37.3 0.5 FE2 A:SF4401 2.4 39.8 0.5 S4 A:SF4401 2.5 35.3 0.5 FE1 A:SF4401 2.7 36.2 0.5 FE2 A:SF4401 2.7 40.3 0.5 FE4 A:SF4401 2.7 41.9 0.5 HB2 A:CYS198 2.9 40.9 0.5 HD3 A:ARG153 3.0 36.5 1.0 CB A:CYS198 3.1 36.5 0.5 HA A:CYS198 3.2 41.7 0.5 CB A:CYS198 3.3 36.3 0.5 HB2 A:CYS198 3.3 40.8 0.5 HA A:CYS198 3.3 41.7 0.5 HH11 A:ARG153 3.5 50.6 1.0 FE4 A:SF4401 3.5 42.1 0.5 SG A:CYS205 3.6 39.9 0.5 FE1 A:SF4401 3.7 39.4 0.5 S2 A:SF4401 3.8 44.5 0.5 CA A:CYS198 3.8 36.1 0.5 CA A:CYS198 3.8 36.1 0.5 HB2 A:PRO203 3.8 40.7 1.0 S3 A:SF4401 3.9 45.3 0.5 HB3 A:CYS198 4.0 40.9 0.5 CD A:ARG153 4.0 32.8 1.0 HB2 A:ARG153 4.1 43.6 1.0 HB3 A:ARG153 4.1 43.6 1.0 HB3 A:CYS198 4.1 40.8 0.5 NH1 A:ARG153 4.1 41.6 1.0 HD2 A:ARG153 4.2 36.5 1.0 HB3 A:PRO203 4.2 40.7 1.0 S3 A:SF4401 4.3 47.6 0.5 CB A:PRO203 4.4 38.3 1.0 CB A:ARG153 4.5 42.3 1.0 HB1 A:ALA222 4.5 52.4 1.0 HH12 A:ARG153 4.5 50.6 1.0 SG A:CYS208 4.7 45.2 0.5 HA A:VAL150 4.8 47.4 1.0 CG A:ARG153 4.8 42.2 1.0 C A:CYS198 4.8 31.8 1.0 SG A:CYS214 4.8 51.0 0.4 NE A:ARG153 4.8 40.9 1.0 N A:CYS198 4.8 34.1 1.0 SG A:CYS214 4.8 43.1 0.6 SG A:CYS205 4.8 40.1 0.5 HA A:CYS205 4.9 48.0 0.5 CZ A:ARG153 4.9 38.9 1.0 HG3 A:PRO203 4.9 42.5 1.0 HA A:CYS205 4.9 48.0 0.5 HB2 A:ALA222 4.9 52.4 1.0

Iron binding site 6 out of 8 in the Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:33.6 occ:0.51 FE3 A:SF4401 0.0 33.6 0.5 S2 A:SF4401 1.1 37.3 0.5 FE3 A:SF4401 1.6 30.9 0.5 S1 A:SF4401 2.3 42.7 0.5 S2 A:SF4401 2.3 44.5 0.5 SG A:CYS198 2.3 38.9 0.5 S4 A:SF4401 2.3 35.3 0.5 FE1 A:SF4401 2.5 36.2 0.5 HB2 A:CYS198 2.6 40.9 0.5 SG A:CYS198 2.7 39.3 0.5 FE1 A:SF4401 2.7 39.4 0.5 FE4 A:SF4401 2.7 42.1 0.5 FE2 A:SF4401 2.7 39.8 0.5 FE4 A:SF4401 2.8 41.9 0.5 HB2 A:CYS198 3.0 40.8 0.5 S4 A:SF4401 3.1 38.2 0.5 CB A:CYS198 3.2 36.5 0.5 CB A:CYS198 3.2 36.3 0.5 S1 A:SF4401 3.4 42.6 0.5 HB3 A:CYS198 3.8 40.9 0.5 FE2 A:SF4401 3.8 40.3 0.5 S3 A:SF4401 3.9 47.6 0.5 HB3 A:CYS198 4.0 40.8 0.5 HA A:CYS198 4.0 41.7 0.5 HD3 A:ARG153 4.0 36.5 1.0 SG A:CYS208 4.1 45.2 0.5 HA A:CYS198 4.1 41.7 0.5 HB2 A:ARG153 4.1 43.6 1.0 S3 A:SF4401 4.1 45.3 0.5 HA A:VAL150 4.2 47.4 1.0 HG13 A:VAL150 4.2 51.0 1.0 HG22 A:VAL150 4.2 33.1 1.0 CA A:CYS198 4.2 36.1 0.5 HD21 A:LEU193 4.3 46.6 1.0 HD23 A:LEU154 4.3 50.2 1.0 CA A:CYS198 4.3 36.1 0.5 HB3 A:ARG153 4.4 43.6 1.0 HG A:LEU154 4.4 45.7 1.0 HH11 A:ARG153 4.5 50.6 1.0 SG A:CYS214 4.5 51.0 0.4 HG23 A:VAL210 4.5 55.0 1.0 SG A:CYS208 4.6 48.0 0.5 SG A:CYS205 4.6 39.9 0.5 CB A:ARG153 4.7 42.3 1.0 HD2 A:ARG153 4.7 36.5 1.0 SG A:CYS214 4.7 43.1 0.6 CD A:ARG153 4.8 32.8 1.0 HG A:LEU193 4.8 42.3 1.0 HB2 A:CYS214 4.9 56.1 0.6 HD23 A:LEU193 4.9 46.6 1.0 HB2 A:CYS208 4.9 50.4 0.5 O A:VAL150 5.0 46.8 1.0 CD2 A:LEU193 5.0 50.5 1.0

Iron binding site 7 out of 8 in the Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:41.9 occ:0.49 FE4 A:SF4401 0.0 41.9 0.5 S1 A:SF4401 1.2 42.7 0.5 FE4 A:SF4401 1.7 42.1 0.5 FE2 A:SF4401 1.9 39.8 0.5 S1 A:SF4401 2.3 42.6 0.5 S2 A:SF4401 2.3 37.3 0.5 S3 A:SF4401 2.3 45.3 0.5 SG A:CYS214 2.3 43.1 0.6 SG A:CYS214 2.4 51.0 0.4 S3 A:SF4401 2.6 47.6 0.5 FE3 A:SF4401 2.7 30.9 0.5 FE1 A:SF4401 2.7 36.2 0.5 FE2 A:SF4401 2.7 40.3 0.5 FE3 A:SF4401 2.8 33.6 0.5 HB2 A:CYS214 3.0 56.1 0.6 HB2 A:CYS214 3.2 56.0 0.4 CB A:CYS214 3.2 59.7 0.6 CB A:CYS214 3.2 59.6 0.4 SG A:CYS205 3.3 39.9 0.5 HB3 A:CYS214 3.4 56.0 0.4 HB2 A:PHE217 3.5 64.0 1.0 FE1 A:SF4401 3.5 39.4 0.5 HB3 A:CYS214 3.5 56.1 0.6 S2 A:SF4401 3.6 44.5 0.5 HB3 A:ARG153 3.6 43.6 1.0 S4 A:SF4401 3.7 35.3 0.5 S4 A:SF4401 3.9 38.2 0.5 H A:PHE217 4.0 56.6 1.0 HD23 A:LEU154 4.0 50.2 1.0 HB3 A:ALA216 4.2 53.9 1.0 HB3 A:PHE217 4.2 64.0 1.0 HB2 A:ALA222 4.3 52.4 1.0 CB A:PHE217 4.3 63.7 1.0 HB2 A:ARG153 4.4 43.6 1.0 HD3 A:ARG153 4.4 36.5 1.0 CB A:ARG153 4.4 42.3 1.0 HB3 A:CYS205 4.5 50.8 0.5 N A:PHE217 4.6 56.7 1.0 CA A:CYS214 4.6 65.0 0.6 SG A:CYS198 4.6 38.9 0.5 CA A:CYS214 4.6 65.0 0.4 HA A:GLN211 4.7 63.2 1.0 HA A:CYS214 4.7 60.0 0.6 HB3 A:CYS205 4.7 50.6 0.5 HB1 A:ALA222 4.8 52.4 1.0 SG A:CYS205 4.8 40.1 0.5 CB A:CYS205 4.8 54.1 0.5 SG A:CYS198 4.8 39.3 0.5 HA A:CYS214 4.8 59.9 0.4 SG A:CYS208 4.8 45.2 0.5 HA A:CYS205 4.8 48.0 0.5 HA A:LEU154 4.9 48.0 1.0 HA A:CYS205 5.0 48.0 0.5 CB A:ALA222 5.0 47.0 1.0 CD2 A:LEU154 5.0 51.1 1.0

Iron binding site 8 out of 8 in the Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Adenine Glycosylase Muty Variant E43S in Complex with Dna Containing D(8-Oxo-G) Paired with An Ap Site Generated By the Enzyme Acting on Purine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:42.1 occ:0.51 FE4 A:SF4401 0.0 42.1 0.5 FE4 A:SF4401 1.7 41.9 0.5 S2 A:SF4401 1.7 37.3 0.5 HB2 A:CYS214 2.2 56.1 0.6 SG A:CYS214 2.3 51.0 0.4 S1 A:SF4401 2.3 42.7 0.5 S3 A:SF4401 2.3 47.6 0.5 S2 A:SF4401 2.3 44.5 0.5 HB2 A:CYS214 2.3 56.0 0.4 HD23 A:LEU154 2.5 50.2 1.0 SG A:CYS214 2.6 43.1 0.6 FE3 A:SF4401 2.7 33.6 0.5 FE2 A:SF4401 2.7 39.8 0.5 FE1 A:SF4401 2.7 39.4 0.5 CB A:CYS214 2.7 59.6 0.4 CB A:CYS214 2.8 59.7 0.6 FE1 A:SF4401 2.9 36.2 0.5 S3 A:SF4401 3.1 45.3 0.5 HB3 A:CYS214 3.3 56.0 0.4 HB3 A:CYS214 3.4 56.1 0.6 CD2 A:LEU154 3.4 51.1 1.0 FE3 A:SF4401 3.5 30.9 0.5 HG23 A:VAL210 3.7 55.0 1.0 HD21 A:LEU154 3.8 50.2 1.0 S1 A:SF4401 3.8 42.6 0.5 HA A:CYS214 3.8 60.0 0.6 HA A:CYS214 3.9 59.9 0.4 S4 A:SF4401 3.9 35.3 0.5 HG A:LEU154 3.9 45.7 1.0 CA A:CYS214 3.9 65.0 0.6 HD22 A:LEU154 3.9 50.2 1.0 CA A:CYS214 3.9 65.0 0.4 HA A:LEU154 4.0 48.0 1.0 FE2 A:SF4401 4.2 40.3 0.5 HB3 A:ARG153 4.2 43.6 1.0 CG A:LEU154 4.3 45.2 1.0 O A:VAL210 4.3 59.1 1.0 HA A:GLN211 4.4 63.2 1.0 SG A:CYS208 4.4 45.2 0.5 HB2 A:ARG153 4.6 43.6 1.0 CG2 A:VAL210 4.6 48.6 1.0 HB2 A:PHE217 4.6 64.0 1.0 N A:CYS214 4.6 63.9 1.0 HG21 A:VAL210 4.7 55.0 1.0 SG A:CYS205 4.7 39.9 0.5 S4 A:SF4401 4.7 38.2 0.5 H A:CYS214 4.7 55.6 0.4 H A:CYS214 4.7 55.6 0.6 CA A:LEU154 4.8 47.7 1.0 H A:PHE217 4.8 56.6 1.0 N A:LEU154 4.8 44.9 1.0 SG A:CYS198 4.8 38.9 0.5 SG A:CYS208 4.8 48.0 0.5 CB A:ARG153 4.8 42.3 1.0 HB3 A:PHE217 4.9 64.0 1.0 C A:VAL210 4.9 53.8 1.0 H A:LEU154 5.0 48.0 1.0

L.P.Russelburg, M.Demir, K.Cedeno, S.S.David, M.P.Horvath. Structural Basis For Base Engagement and Stereochemistry Revealed By Alteration of Catalytic Residue GLU43 in Dna Repair Glycosylase Muty To Be Published.