Iron in PDB 8dw0: Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate

The structure of Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate, PDB code: 8dw0 was solved by M.Demir, L.P.Russelburg, M.P.Horvath, S.S.David, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.02 / 1.68
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.94, 86.56, 142.77, 90, 90, 90
R / Rfree (%)	20 / 22.7

The structure of Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate (pdb code 8dw0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate, PDB code: 8dw0:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:35.3 occ:0.53 FE1 A:SF4401 0.0 35.3 0.5 FE1 A:SF4401 1.1 36.2 0.5 S4 A:SF4401 1.4 31.1 0.5 FE2 A:SF4401 1.8 39.7 0.5 S2 A:SF4401 2.3 28.3 0.5 S3 A:SF4401 2.3 38.3 0.5 SG A:CYS208 2.3 32.3 0.4 S4 A:SF4401 2.3 31.9 0.5 FE3 A:SF4401 2.3 29.9 0.5 S3 A:SF4401 2.3 35.5 0.5 FE3 A:SF4401 2.7 30.6 0.5 FE4 A:SF4401 2.7 37.3 0.5 FE2 A:SF4401 2.7 39.9 0.5 FE4 A:SF4401 2.8 36.2 0.5 HB2 A:CYS208 2.8 41.5 0.6 S2 A:SF4401 2.9 33.2 0.5 SG A:CYS208 2.9 37.1 0.6 HB2 A:CYS208 3.0 41.7 0.4 CB A:CYS208 3.1 42.8 0.6 HB3 A:CYS208 3.1 41.5 0.6 CB A:CYS208 3.2 43.3 0.4 S1 A:SF4401 3.3 34.9 0.5 HB3 A:CYS208 3.3 41.7 0.4 HA A:CYS205 3.4 45.0 0.4 HA A:CYS205 3.4 45.1 0.6 HB2 A:CYS198 3.8 33.3 0.5 S1 A:SF4401 3.9 35.9 0.5 HG12 A:VAL197 3.9 36.0 1.0 SG A:CYS205 3.9 40.2 0.4 HG23 A:VAL210 4.2 49.0 1.0 HB2 A:CYS198 4.3 31.7 0.5 CA A:CYS205 4.3 48.5 0.4 CA A:CYS205 4.3 48.6 0.6 SG A:CYS198 4.4 25.2 0.5 HA A:GLN211 4.4 56.4 1.0 HB3 A:CYS205 4.4 45.3 0.6 HG11 A:VAL197 4.6 36.0 1.0 CA A:CYS208 4.6 46.7 0.4 HA A:CYS198 4.6 30.1 0.5 CB A:CYS198 4.6 34.1 0.5 HB2 A:CYS214 4.6 47.4 0.5 CB A:CYS205 4.6 49.9 0.4 CA A:CYS208 4.6 46.6 0.6 HB2 A:CYS214 4.6 47.4 0.5 HA A:CYS198 4.7 30.1 0.5 CG1 A:VAL197 4.7 36.4 1.0 CB A:CYS205 4.7 50.0 0.6 CB A:CYS198 4.7 32.6 0.5 SG A:CYS198 4.8 27.1 0.5 HB3 A:CYS205 4.8 45.3 0.4 HD21 A:LEU193 4.8 39.6 1.0 HA A:CYS208 4.8 45.7 0.4 SG A:CYS205 4.8 40.9 0.6 SG A:CYS214 4.9 39.8 0.5 HD11 A:LEU193 4.9 39.8 1.0 HA A:CYS208 4.9 45.7 0.6 HG22 A:VAL210 4.9 49.0 1.0 H A:VAL210 4.9 54.7 1.0 O A:CYS205 5.0 50.9 1.0 HB2 A:PRO203 5.0 41.6 1.0 CG2 A:VAL210 5.0 39.6 1.0

Iron binding site 2 out of 8 in the Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:36.2 occ:0.47 FE1 A:SF4401 0.0 36.2 0.5 FE1 A:SF4401 1.1 35.3 0.5 SG A:CYS208 2.0 32.3 0.4 S2 A:SF4401 2.1 28.3 0.5 SG A:CYS208 2.2 37.1 0.6 S4 A:SF4401 2.3 31.1 0.5 S2 A:SF4401 2.3 33.2 0.5 S3 A:SF4401 2.3 35.5 0.5 FE4 A:SF4401 2.6 36.2 0.5 FE3 A:SF4401 2.7 29.9 0.5 FE2 A:SF4401 2.7 39.7 0.5 S3 A:SF4401 2.8 38.3 0.5 FE4 A:SF4401 3.0 37.3 0.5 HB2 A:CYS208 3.1 41.5 0.6 CB A:CYS208 3.1 42.8 0.6 HG23 A:VAL210 3.1 49.0 1.0 HB3 A:CYS208 3.2 41.5 0.6 CB A:CYS208 3.2 43.3 0.4 HB3 A:CYS208 3.2 41.7 0.4 S4 A:SF4401 3.3 31.9 0.5 HB2 A:CYS208 3.4 41.7 0.4 FE3 A:SF4401 3.4 30.6 0.5 FE2 A:SF4401 3.7 39.9 0.5 S1 A:SF4401 3.8 34.9 0.5 HG22 A:VAL210 3.9 49.0 1.0 CG2 A:VAL210 3.9 39.6 1.0 HA A:GLN211 3.9 56.4 1.0 HB2 A:CYS214 4.1 47.4 0.5 H A:VAL210 4.1 54.7 1.0 HD21 A:LEU193 4.1 39.6 1.0 HB2 A:CYS214 4.1 47.4 0.5 HB2 A:CYS198 4.1 33.3 0.5 HA A:CYS205 4.2 45.0 0.4 HA A:CYS205 4.2 45.1 0.6 N A:GLN211 4.3 48.5 1.0 HG12 A:VAL197 4.4 36.0 1.0 HG21 A:VAL210 4.4 49.0 1.0 HD23 A:LEU154 4.4 46.7 1.0 HD11 A:LEU193 4.4 39.8 1.0 C A:VAL210 4.5 49.1 1.0 H A:GLN211 4.5 51.0 1.0 HB2 A:CYS198 4.5 31.7 0.5 CA A:CYS208 4.5 46.7 0.4 CA A:CYS208 4.6 46.6 0.6 S1 A:SF4401 4.6 35.9 0.5 HD21 A:LEU154 4.6 46.7 1.0 CA A:GLN211 4.6 54.1 1.0 SG A:CYS198 4.7 25.2 0.5 HG11 A:VAL197 4.7 36.0 1.0 HA A:CYS208 4.7 45.7 0.4 O A:VAL210 4.7 49.1 1.0 CB A:CYS214 4.8 48.8 0.5 CB A:CYS214 4.8 48.7 0.5 N A:VAL210 4.8 47.2 1.0 SG A:CYS214 4.8 39.8 0.5 HA A:CYS208 4.8 45.7 0.6 SG A:CYS205 4.9 40.2 0.4 HB3 A:CYS214 4.9 47.4 0.5 HB2 A:GLN211 4.9 60.6 1.0 SG A:CYS214 4.9 40.4 0.5 HB3 A:CYS214 4.9 47.4 0.5 HD2 A:PRO209 4.9 42.7 1.0 CD2 A:LEU154 5.0 44.6 1.0 CA A:VAL210 5.0 45.5 1.0 CB A:CYS198 5.0 34.1 0.5

Iron binding site 3 out of 8 in the Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:39.9 occ:0.53 FE2 A:SF4401 0.0 39.9 0.5 FE2 A:SF4401 1.2 39.7 0.5 SG A:CYS205 1.5 40.2 0.4 S1 A:SF4401 2.2 35.9 0.5 S4 A:SF4401 2.3 31.9 0.5 SG A:CYS205 2.3 40.9 0.6 S3 A:SF4401 2.3 38.3 0.5 S1 A:SF4401 2.5 34.9 0.5 S4 A:SF4401 2.6 31.1 0.5 FE3 A:SF4401 2.7 30.6 0.5 FE4 A:SF4401 2.7 37.3 0.5 FE1 A:SF4401 2.7 35.3 0.5 HA A:CYS205 2.9 45.1 0.6 HA A:CYS205 3.0 45.0 0.4 HB3 A:CYS205 3.0 45.3 0.6 CB A:CYS205 3.0 49.9 0.4 CB A:CYS205 3.0 50.0 0.6 HB2 A:PRO203 3.1 41.6 1.0 FE3 A:SF4401 3.2 29.9 0.5 CA A:CYS205 3.4 48.6 0.6 CA A:CYS205 3.4 48.5 0.4 S3 A:SF4401 3.4 35.5 0.5 HB3 A:CYS205 3.4 45.3 0.4 HB2 A:CYS205 3.6 45.3 0.4 FE4 A:SF4401 3.7 36.2 0.5 FE1 A:SF4401 3.7 36.2 0.5 S2 A:SF4401 3.8 28.3 0.5 N A:CYS205 3.9 46.8 1.0 H A:CYS205 4.0 44.6 0.6 HB2 A:CYS205 4.0 45.3 0.6 H A:CYS205 4.0 44.6 0.4 CB A:PRO203 4.0 37.3 1.0 HB2 A:PHE217 4.1 60.5 1.0 HB2 A:ALA222 4.1 49.5 1.0 HG2 A:PRO203 4.1 39.6 1.0 HB1 A:ALA222 4.1 49.5 1.0 HB3 A:PRO203 4.3 41.6 1.0 HB2 A:CYS208 4.4 41.7 0.4 CG A:PRO203 4.4 36.5 1.0 HG3 A:PRO203 4.4 39.6 1.0 HB2 A:CYS208 4.5 41.5 0.6 CB A:ALA222 4.5 48.0 1.0 HA A:CYS198 4.6 30.1 0.5 HD3 A:ARG153 4.6 33.2 1.0 HB3 A:ALA222 4.6 49.5 1.0 HA A:CYS198 4.6 30.1 0.5 HB3 A:CYS208 4.8 41.5 0.6 C A:CYS205 4.8 43.8 1.0 SG A:CYS198 4.8 27.1 0.5 SG A:CYS214 4.8 39.8 0.5 SG A:CYS208 4.8 32.3 0.4 C A:SER204 4.8 38.4 1.0 S2 A:SF4401 4.8 33.2 0.5 HD1 A:PHE217 4.8 61.4 1.0 SG A:CYS198 4.9 25.2 0.5 C A:PRO203 4.9 48.8 1.0 CB A:CYS208 5.0 43.3 0.4 HB2 A:CYS198 5.0 33.3 0.5

Iron binding site 4 out of 8 in the Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:39.7 occ:0.47 FE2 A:SF4401 0.0 39.7 0.5 FE2 A:SF4401 1.2 39.9 0.5 S3 A:SF4401 1.4 38.3 0.5 FE1 A:SF4401 1.8 35.3 0.5 FE4 A:SF4401 2.0 37.3 0.5 S4 A:SF4401 2.2 31.1 0.5 S1 A:SF4401 2.2 34.9 0.5 SG A:CYS205 2.3 40.2 0.4 S3 A:SF4401 2.3 35.5 0.5 S4 A:SF4401 2.5 31.9 0.5 S1 A:SF4401 2.6 35.9 0.5 FE3 A:SF4401 2.6 30.6 0.5 FE4 A:SF4401 2.7 36.2 0.5 FE1 A:SF4401 2.7 36.2 0.5 FE3 A:SF4401 2.7 29.9 0.5 S2 A:SF4401 3.0 28.3 0.5 HA A:CYS205 3.0 45.1 0.6 HA A:CYS205 3.0 45.0 0.4 HB3 A:CYS205 3.2 45.3 0.6 SG A:CYS205 3.3 40.9 0.6 CB A:CYS205 3.4 49.9 0.4 CB A:CYS205 3.5 50.0 0.6 HB3 A:CYS205 3.6 45.3 0.4 CA A:CYS205 3.7 48.5 0.4 CA A:CYS205 3.7 48.6 0.6 HB2 A:PHE217 3.8 60.5 1.0 S2 A:SF4401 3.9 33.2 0.5 HB2 A:CYS208 3.9 41.7 0.4 HB2 A:CYS208 4.0 41.5 0.6 SG A:CYS208 4.0 32.3 0.4 HB3 A:CYS208 4.1 41.5 0.6 SG A:CYS214 4.1 39.8 0.5 HB2 A:PRO203 4.1 41.6 1.0 HB2 A:CYS205 4.3 45.3 0.4 HB3 A:CYS208 4.3 41.7 0.4 CB A:CYS208 4.3 43.3 0.4 CB A:CYS208 4.4 42.8 0.6 SG A:CYS214 4.4 40.4 0.5 HB2 A:CYS205 4.4 45.3 0.6 N A:CYS205 4.5 46.8 1.0 SG A:CYS208 4.6 37.1 0.6 HB2 A:CYS214 4.6 47.4 0.5 HA A:GLN211 4.6 56.4 1.0 HB2 A:CYS214 4.7 47.4 0.5 HB3 A:CYS214 4.7 47.4 0.5 HB3 A:CYS214 4.7 47.4 0.5 H A:CYS205 4.7 44.6 0.6 H A:CYS205 4.7 44.6 0.4 HB2 A:ALA222 4.7 49.5 1.0 CB A:PHE217 4.8 57.4 1.0 HB2 A:CYS198 4.8 33.3 0.5 SG A:CYS198 4.8 25.2 0.5 CB A:CYS214 4.8 48.8 0.5 C A:CYS205 4.8 43.8 1.0 O A:CYS205 4.8 50.9 1.0 CB A:CYS214 4.9 48.7 0.5 HD3 A:ARG153 4.9 33.2 1.0 SG A:CYS198 4.9 27.1 0.5 HG3 A:GLN211 4.9 71.0 1.0 HA A:CYS198 5.0 30.1 0.5 HB1 A:ALA222 5.0 49.5 1.0

Iron binding site 5 out of 8 in the Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:30.6 occ:0.53 FE3 A:SF4401 0.0 30.6 0.5 FE3 A:SF4401 1.1 29.9 0.5 S1 A:SF4401 2.2 34.9 0.5 S4 A:SF4401 2.2 31.1 0.5 S1 A:SF4401 2.3 35.9 0.5 SG A:CYS198 2.3 25.2 0.5 S2 A:SF4401 2.3 28.3 0.5 S4 A:SF4401 2.3 31.9 0.5 SG A:CYS198 2.3 27.1 0.5 FE2 A:SF4401 2.6 39.7 0.5 FE2 A:SF4401 2.7 39.9 0.5 FE1 A:SF4401 2.7 35.3 0.5 FE4 A:SF4401 2.8 37.3 0.5 HB2 A:CYS198 2.8 33.3 0.5 CB A:CYS198 3.1 34.1 0.5 HD3 A:ARG153 3.1 33.2 1.0 HA A:CYS198 3.1 30.1 0.5 HA A:CYS198 3.3 30.1 0.5 CB A:CYS198 3.3 32.6 0.5 S2 A:SF4401 3.3 33.2 0.5 FE4 A:SF4401 3.4 36.2 0.5 FE1 A:SF4401 3.4 36.2 0.5 HB2 A:CYS198 3.4 31.7 0.5 HH11 A:ARG153 3.5 39.5 1.0 CA A:CYS198 3.7 31.1 0.5 CA A:CYS198 3.7 31.0 0.5 HB2 A:PRO203 3.8 41.6 1.0 S3 A:SF4401 3.9 38.3 0.5 HB3 A:CYS198 3.9 33.3 0.5 CD A:ARG153 4.0 31.5 1.0 HB3 A:PRO203 4.0 41.6 1.0 HD2 A:ARG153 4.0 33.2 1.0 HB3 A:CYS198 4.1 31.7 0.5 NH1 A:ARG153 4.2 34.8 1.0 SG A:CYS205 4.2 40.2 0.4 HB3 A:ARG153 4.2 28.2 1.0 HB2 A:ARG153 4.3 28.2 1.0 CB A:PRO203 4.3 37.3 1.0 S3 A:SF4401 4.4 35.5 0.5 HH12 A:ARG153 4.6 39.5 1.0 HB1 A:ALA222 4.6 49.5 1.0 CB A:ARG153 4.7 29.4 1.0 SG A:CYS208 4.7 32.3 0.4 C A:CYS198 4.7 28.6 1.0 HG3 A:PRO203 4.7 39.6 1.0 N A:CYS198 4.8 33.6 1.0 HG12 A:VAL197 4.8 36.0 1.0 HA A:VAL150 4.8 38.0 1.0 SG A:CYS205 4.8 40.9 0.6 NE A:ARG153 4.9 31.2 1.0 CG A:ARG153 4.9 33.3 1.0 HA A:CYS205 4.9 45.1 0.6 HA A:CYS205 4.9 45.0 0.4 CZ A:ARG153 4.9 32.8 1.0 SG A:CYS214 4.9 39.8 0.5

Iron binding site 6 out of 8 in the Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:29.9 occ:0.47 FE3 A:SF4401 0.0 29.9 0.5 FE3 A:SF4401 1.1 30.6 0.5 S2 A:SF4401 1.2 28.3 0.5 S4 A:SF4401 2.3 31.1 0.5 SG A:CYS198 2.3 25.2 0.5 S2 A:SF4401 2.3 33.2 0.5 S1 A:SF4401 2.3 34.9 0.5 FE1 A:SF4401 2.3 35.3 0.5 FE4 A:SF4401 2.5 37.3 0.5 FE1 A:SF4401 2.7 36.2 0.5 FE4 A:SF4401 2.7 36.2 0.5 FE2 A:SF4401 2.7 39.7 0.5 SG A:CYS198 2.7 27.1 0.5 HB2 A:CYS198 2.8 33.3 0.5 S4 A:SF4401 2.8 31.9 0.5 S1 A:SF4401 2.8 35.9 0.5 FE2 A:SF4401 3.2 39.9 0.5 CB A:CYS198 3.2 34.1 0.5 HB2 A:CYS198 3.3 31.7 0.5 CB A:CYS198 3.4 32.6 0.5 HD3 A:ARG153 3.6 33.2 1.0 S3 A:SF4401 3.7 38.3 0.5 HA A:CYS198 3.7 30.1 0.5 HA A:CYS198 3.9 30.1 0.5 S3 A:SF4401 3.9 35.5 0.5 HB3 A:CYS198 3.9 33.3 0.5 HB3 A:ARG153 4.2 28.2 1.0 HB2 A:ARG153 4.2 28.2 1.0 CA A:CYS198 4.2 31.0 0.5 CA A:CYS198 4.2 31.1 0.5 HB3 A:CYS198 4.2 31.7 0.5 SG A:CYS208 4.2 32.3 0.4 HH11 A:ARG153 4.2 39.5 1.0 HD2 A:ARG153 4.4 33.2 1.0 CD A:ARG153 4.4 31.5 1.0 HG13 A:VAL150 4.4 44.1 1.0 HA A:VAL150 4.5 38.0 1.0 SG A:CYS214 4.5 39.8 0.5 CB A:ARG153 4.6 29.4 1.0 SG A:CYS214 4.6 40.4 0.5 HG A:LEU154 4.7 46.1 1.0 SG A:CYS208 4.7 37.1 0.6 SG A:CYS205 4.7 40.2 0.4 HD23 A:LEU154 4.7 46.7 1.0 HD21 A:LEU193 4.7 39.6 1.0 HB2 A:PRO203 4.8 41.6 1.0 HG22 A:VAL150 4.8 37.9 1.0 HB2 A:CYS208 4.9 41.5 0.6 HG12 A:VAL197 4.9 36.0 1.0 HB2 A:CYS214 5.0 47.4 0.5 NH1 A:ARG153 5.0 34.8 1.0

Iron binding site 7 out of 8 in the Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:37.3 occ:0.53 FE4 A:SF4401 0.0 37.3 0.5 FE4 A:SF4401 1.1 36.2 0.5 S1 A:SF4401 1.2 34.9 0.5 FE2 A:SF4401 2.0 39.7 0.5 S2 A:SF4401 2.3 28.3 0.5 S3 A:SF4401 2.3 38.3 0.5 S1 A:SF4401 2.3 35.9 0.5 SG A:CYS214 2.4 39.8 0.5 FE3 A:SF4401 2.5 29.9 0.5 S3 A:SF4401 2.5 35.5 0.5 SG A:CYS214 2.6 40.4 0.5 FE1 A:SF4401 2.7 35.3 0.5 FE2 A:SF4401 2.7 39.9 0.5 FE3 A:SF4401 2.8 30.6 0.5 S2 A:SF4401 3.0 33.2 0.5 FE1 A:SF4401 3.0 36.2 0.5 HB2 A:CYS214 3.2 47.4 0.5 HB2 A:CYS214 3.3 47.4 0.5 CB A:CYS214 3.4 48.8 0.5 CB A:CYS214 3.4 48.7 0.5 S4 A:SF4401 3.5 31.1 0.5 HB3 A:CYS214 3.5 47.4 0.5 HB2 A:PHE217 3.6 60.5 1.0 HB3 A:CYS214 3.6 47.4 0.5 HB3 A:ARG153 3.6 28.2 1.0 SG A:CYS205 3.7 40.2 0.4 S4 A:SF4401 4.0 31.9 0.5 HD23 A:LEU154 4.0 46.7 1.0 HB3 A:ALA216 4.2 46.7 1.0 H A:PHE217 4.2 57.7 1.0 HD3 A:ARG153 4.2 33.2 1.0 CB A:ARG153 4.5 29.4 1.0 CB A:PHE217 4.5 57.4 1.0 HB2 A:ARG153 4.5 28.2 1.0 HB2 A:ALA222 4.5 49.5 1.0 SG A:CYS198 4.5 25.2 0.5 HB3 A:PHE217 4.6 60.5 1.0 HB3 A:CYS205 4.6 45.3 0.6 HA A:GLN211 4.7 56.4 1.0 SG A:CYS205 4.7 40.9 0.6 N A:PHE217 4.8 54.0 1.0 CA A:CYS214 4.8 56.1 0.5 CA A:CYS214 4.8 56.1 0.5 SG A:CYS198 4.8 27.1 0.5 HA A:LEU154 4.9 39.4 1.0 HG A:LEU154 4.9 46.1 1.0 CD2 A:LEU154 4.9 44.6 1.0 SG A:CYS208 4.9 32.3 0.4 HB1 A:ALA222 4.9 49.5 1.0 HA A:CYS205 4.9 45.1 0.6 HA A:CYS205 5.0 45.0 0.4 HA A:CYS214 5.0 54.4 0.5

Iron binding site 8 out of 8 in the Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Glycosylase Muty Variant N146S in Complex with Dna Containing D(8-Oxo- G) Paired with An Enzyme-Generated Abasic Site (Ap) Product and Crystallized with Sodium Acetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:36.2 occ:0.47 FE4 A:SF4401 0.0 36.2 0.5 FE4 A:SF4401 1.1 37.3 0.5 S2 A:SF4401 2.0 28.3 0.5 SG A:CYS214 2.2 39.8 0.5 S1 A:SF4401 2.3 34.9 0.5 S2 A:SF4401 2.3 33.2 0.5 SG A:CYS214 2.3 40.4 0.5 S3 A:SF4401 2.3 35.5 0.5 HB2 A:CYS214 2.3 47.4 0.5 HB2 A:CYS214 2.4 47.4 0.5 S3 A:SF4401 2.6 38.3 0.5 FE1 A:SF4401 2.6 36.2 0.5 FE2 A:SF4401 2.7 39.7 0.5 CB A:CYS214 2.7 48.8 0.5 FE3 A:SF4401 2.7 29.9 0.5 CB A:CYS214 2.7 48.7 0.5 FE1 A:SF4401 2.8 35.3 0.5 HD23 A:LEU154 3.0 46.7 1.0 HB3 A:CYS214 3.1 47.4 0.5 HB3 A:CYS214 3.1 47.4 0.5 S1 A:SF4401 3.4 35.9 0.5 FE3 A:SF4401 3.4 30.6 0.5 FE2 A:SF4401 3.7 39.9 0.5 S4 A:SF4401 3.8 31.1 0.5 CD2 A:LEU154 3.9 44.6 1.0 HB3 A:ARG153 4.0 28.2 1.0 HD21 A:LEU154 4.0 46.7 1.0 HB2 A:PHE217 4.0 60.5 1.0 CA A:CYS214 4.1 56.1 0.5 CA A:CYS214 4.1 56.1 0.5 HG A:LEU154 4.1 46.1 1.0 HA A:GLN211 4.2 56.4 1.0 HA A:LEU154 4.2 39.4 1.0 HA A:CYS214 4.2 54.4 0.5 HG23 A:VAL210 4.3 49.0 1.0 HA A:CYS214 4.3 54.3 0.5 H A:PHE217 4.5 57.7 1.0 HD22 A:LEU154 4.5 46.7 1.0 S4 A:SF4401 4.5 31.9 0.5 CG A:LEU154 4.6 42.2 1.0 SG A:CYS208 4.6 32.3 0.4 SG A:CYS205 4.7 40.2 0.4 HB3 A:ALA216 4.7 46.7 1.0 HB2 A:ARG153 4.7 28.2 1.0 HB3 A:PHE217 4.7 60.5 1.0 SG A:CYS208 4.7 37.1 0.6 CB A:ARG153 4.8 29.4 1.0 SG A:CYS198 4.8 25.2 0.5 CB A:PHE217 4.8 57.4 1.0 O A:VAL210 4.9 49.1 1.0 N A:LEU154 4.9 35.0 1.0 CA A:LEU154 5.0 38.1 1.0 N A:CYS214 5.0 56.2 1.0 HD3 A:ARG153 5.0 33.2 1.0

M.Demir, L.P.Russelburg, J.Lin, C.H.Trasvina-Arenas, B.Huang, P.K.Yuen, M.P.Horvath, S.S.David. Structural Snapshots of Base Excision Mechanism By Dna Glycosylase Muty Reveal Retention of Stereochemistry For Abasic Site Product Formation To Be Published.