Iron in PDB 9bs2: Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution

Enzymatic activity of Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution

All present enzymatic activity of Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution:
3.2.2.31;

Protein crystallography data

The structure of Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution, PDB code: 9bs2 was solved by C.H.Trasvina-Arenas, N.Tamayo, W.J.Lin, M.Demir, A.J.Fisher, 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) 43.00 / 1.51
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.5, 86, 140.64, 90, 90, 90
R / Rfree (%) 20.6 / 23

Other elements in 9bs2:

The structure of Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution also contains other interesting chemical elements:

Calcium (Ca) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution (pdb code 9bs2). 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 R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution, PDB code: 9bs2:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 9bs2

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Iron binding site 1 out of 8 in the Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution


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 R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:23.9
occ:0.53
FE1 A:SF4401 0.0 23.9 0.5
S4 A:SF4401 1.4 23.1 0.5
FE1 A:SF4401 1.5 23.4 0.5
FE2 A:SF4401 1.5 25.0 0.5
S3 A:SF4401 2.2 22.6 0.5
S3 A:SF4401 2.3 23.5 0.5
S2 A:SF4401 2.3 22.9 0.5
SG A:CYS208 2.3 32.8 0.5
S4 A:SF4401 2.3 23.1 0.5
FE3 A:SF4401 2.5 22.9 0.5
FE4 A:SF4401 2.7 25.3 0.5
HB2 A:CYS208 2.7 49.2 0.5
FE3 A:SF4401 2.7 22.9 0.5
FE2 A:SF4401 2.7 25.9 0.5
FE4 A:SF4401 2.9 25.2 0.5
HB2 A:CYS208 3.0 54.4 0.5
CB A:CYS208 3.1 45.3 0.5
HB3 A:CYS208 3.1 49.2 0.5
CB A:CYS208 3.1 41.0 0.5
HA A:CYS205 3.2 57.1 0.5
HA A:CYS205 3.2 57.4 0.5
SG A:CYS208 3.2 37.7 0.5
S2 A:SF4401 3.2 23.2 0.5
S1 A:SF4401 3.2 23.9 0.5
HB3 A:CYS208 3.2 54.4 0.5
SG A:CYS205 3.5 42.3 0.5
S1 A:SF4401 3.8 23.9 0.5
HG12 A:VAL197 3.9 43.1 1.0
HB2 A:CYS198 4.0 35.6 0.5
CA A:CYS205 4.1 47.6 0.5
HA A:GLN211 4.1 58.6 0.5
CA A:CYS205 4.1 47.8 0.5
HB3 A:CYS205 4.3 56.5 0.5
CB A:CYS205 4.3 47.9 0.5
HA A:GLN211 4.4 61.5 0.5
HB2 A:CYS198 4.5 34.5 0.5
SG A:CYS198 4.5 27.2 0.5
HG23 A:VAL210 4.5 49.9 0.5
HB2 A:CYS214 4.5 60.1 0.5
CA A:CYS208 4.5 48.7 0.5
CB A:CYS205 4.5 47.1 0.5
HB3 A:CYS205 4.6 57.4 0.5
HA A:CYS198 4.6 34.5 0.5
HG23 A:VAL210 4.6 50.1 0.5
HB2 A:GLN211 4.6 64.6 0.5
HG11 A:VAL197 4.6 43.1 1.0
CA A:CYS208 4.6 48.4 0.5
HB2 A:CYS214 4.6 60.4 0.5
HA A:CYS198 4.6 34.7 0.5
CG1 A:VAL197 4.7 36.0 1.0
CB A:CYS198 4.7 29.7 0.5
SG A:CYS205 4.7 34.8 0.5
SG A:CYS198 4.8 27.5 0.5
HA A:CYS208 4.8 58.4 0.5
O A:CYS205 4.8 53.3 1.0
SG A:CYS214 4.8 38.0 0.5
N A:CYS205 4.8 45.4 1.0
CA A:GLN211 4.9 48.8 0.5
CB A:CYS198 4.9 28.8 0.5
HA A:CYS208 4.9 58.1 0.5
HB2 A:PRO203 4.9 49.6 1.0
N A:GLN211 4.9 47.9 0.5
H A:CYS208 5.0 60.0 0.5
HG22 A:VAL210 5.0 50.1 0.5
HD21 A:LEU193 5.0 49.3 1.0
C A:CYS205 5.0 42.6 1.0
HB2 A:GLN211 5.0 65.2 0.5
SG A:CYS214 5.0 49.5 0.5
HB2 A:PHE217 5.0 68.6 1.0
H A:GLN211 5.0 57.4 0.5

Iron binding site 2 out of 8 in 9bs2

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Iron binding site 2 out of 8 in the Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution


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 R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:23.4
occ:0.47
FE1 A:SF4401 0.0 23.4 0.5
FE1 A:SF4401 1.5 23.9 0.5
SG A:CYS208 1.9 32.8 0.5
S2 A:SF4401 2.0 22.9 0.5
SG A:CYS208 2.2 37.7 0.5
S2 A:SF4401 2.2 23.2 0.5
S4 A:SF4401 2.3 23.1 0.5
S3 A:SF4401 2.3 22.6 0.5
FE3 A:SF4401 2.7 22.9 0.5
FE4 A:SF4401 2.7 25.2 0.5
FE2 A:SF4401 2.8 25.0 0.5
HB2 A:CYS208 3.0 49.2 0.5
HG23 A:VAL210 3.0 49.9 0.5
CB A:CYS208 3.1 41.0 0.5
HG23 A:VAL210 3.2 50.1 0.5
S3 A:SF4401 3.2 23.5 0.5
HB3 A:CYS208 3.2 49.2 0.5
FE4 A:SF4401 3.3 25.3 0.5
CB A:CYS208 3.3 45.3 0.5
HB3 A:CYS208 3.4 54.4 0.5
FE3 A:SF4401 3.5 22.9 0.5
S4 A:SF4401 3.5 23.1 0.5
HG22 A:VAL210 3.5 50.1 0.5
HB2 A:CYS208 3.6 54.4 0.5
HA A:GLN211 3.7 58.6 0.5
CG2 A:VAL210 3.8 41.8 0.5
HG22 A:VAL210 3.8 49.9 0.5
HD21 A:LEU193 3.8 49.3 1.0
CG2 A:VAL210 3.8 41.6 0.5
S1 A:SF4401 3.9 23.9 0.5
H A:VAL210 3.9 51.6 0.5
HA A:GLN211 4.0 61.5 0.5
H A:VAL210 4.1 51.5 0.5
HB2 A:CYS198 4.1 35.6 0.5
HB2 A:CYS214 4.1 60.1 0.5
FE2 A:SF4401 4.1 25.9 0.5
N A:GLN211 4.1 47.9 0.5
HB2 A:CYS214 4.2 60.4 0.5
HD11 A:LEU193 4.2 47.7 1.0
H A:GLN211 4.3 57.4 0.5
HG21 A:VAL210 4.3 50.1 0.5
C A:VAL210 4.3 49.0 0.5
HA A:CYS205 4.3 57.1 0.5
HG21 A:VAL210 4.3 49.9 0.5
HD21 A:LEU154 4.3 54.8 1.0
HA A:CYS205 4.3 57.4 0.5
HG12 A:VAL197 4.3 43.1 1.0
CA A:GLN211 4.4 48.8 0.5
C A:VAL210 4.4 49.2 0.5
N A:GLN211 4.4 48.7 0.5
HB2 A:CYS198 4.5 34.5 0.5
CA A:CYS208 4.5 48.4 0.5
CA A:CYS208 4.6 48.7 0.5
HB2 A:GLN211 4.6 64.6 0.5
O A:VAL210 4.6 46.8 0.5
O A:VAL210 4.6 46.7 0.5
N A:VAL210 4.6 42.9 0.5
H A:GLN211 4.6 58.4 0.5
CA A:GLN211 4.7 51.3 0.5
SG A:CYS198 4.7 27.2 0.5
N A:VAL210 4.7 43.1 0.5
HD2 A:PRO209 4.7 43.3 0.5
HA A:CYS208 4.7 58.4 0.5
HD23 A:LEU154 4.7 54.8 1.0
HG11 A:VAL197 4.7 43.1 1.0
CD2 A:LEU193 4.8 41.1 1.0
HA A:CYS208 4.8 58.1 0.5
SG A:CYS205 4.8 42.3 0.5
HB2 A:GLN211 4.8 65.2 0.5
S1 A:SF4401 4.8 23.9 0.5
CA A:VAL210 4.8 46.8 0.5
CB A:CYS214 4.9 50.1 0.5
HD2 A:PRO209 4.9 43.6 0.5
CB A:CYS214 4.9 50.4 0.5
C A:CYS208 4.9 49.5 0.5
HG A:LEU193 4.9 42.7 1.0
CA A:VAL210 4.9 47.1 0.5
CB A:VAL210 4.9 46.1 0.5
SG A:CYS214 4.9 49.5 0.5
CB A:VAL210 5.0 46.2 0.5
SG A:CYS214 5.0 38.0 0.5
CB A:CYS198 5.0 29.7 0.5
CD2 A:LEU154 5.0 45.6 1.0

Iron binding site 3 out of 8 in 9bs2

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Iron binding site 3 out of 8 in the Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution


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 R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:25.9
occ:0.53
FE2 A:SF4401 0.0 25.9 0.5
SG A:CYS205 1.2 42.3 0.5
FE2 A:SF4401 1.5 25.0 0.5
SG A:CYS205 2.2 34.8 0.5
S4 A:SF4401 2.2 23.1 0.5
S1 A:SF4401 2.3 23.9 0.5
S3 A:SF4401 2.3 23.5 0.5
FE1 A:SF4401 2.7 23.9 0.5
FE4 A:SF4401 2.7 25.3 0.5
FE3 A:SF4401 2.7 22.9 0.5
S1 A:SF4401 2.8 23.9 0.5
CB A:CYS205 2.8 47.9 0.5
HA A:CYS205 2.8 57.4 0.5
HA A:CYS205 2.9 57.1 0.5
S4 A:SF4401 2.9 23.1 0.5
HB3 A:CYS205 2.9 56.5 0.5
CB A:CYS205 3.0 47.1 0.5
HB2 A:PRO203 3.0 49.6 1.0
CA A:CYS205 3.3 47.8 0.5
CA A:CYS205 3.3 47.6 0.5
HB2 A:CYS205 3.3 57.4 0.5
HB3 A:CYS205 3.4 57.4 0.5
S3 A:SF4401 3.6 22.6 0.5
FE3 A:SF4401 3.6 22.9 0.5
N A:CYS205 3.8 45.4 1.0
H A:CYS205 3.8 54.4 0.5
H A:CYS205 3.8 54.4 0.5
HB2 A:CYS205 3.9 56.5 0.5
S2 A:SF4401 3.9 22.9 0.5
CB A:PRO203 3.9 41.4 1.0
FE4 A:SF4401 4.0 25.2 0.5
HB1 A:ALA222 4.1 51.6 1.0
HB2 A:ALA222 4.1 51.6 1.0
FE1 A:SF4401 4.1 23.4 0.5
HG2 A:PRO203 4.1 38.2 1.0
HB2 A:PHE217 4.2 68.6 1.0
HB3 A:PRO203 4.2 49.6 1.0
HB2 A:CYS208 4.3 54.4 0.5
CB A:ALA222 4.4 43.1 1.0
CG A:PRO203 4.5 31.9 1.0
HB3 A:ALA222 4.5 51.6 1.0
HB2 A:CYS208 4.5 49.2 0.5
HG3 A:PRO203 4.6 38.2 1.0
HA A:CYS198 4.6 34.5 0.5
HD3 A:ARG153 4.6 36.2 1.0
HA A:CYS198 4.6 34.7 0.5
C A:SER204 4.7 36.4 1.0
C A:CYS205 4.7 42.6 1.0
SG A:CYS214 4.8 38.0 0.5
SG A:CYS208 4.8 32.8 0.5
C A:PRO203 4.8 48.4 1.0
HB3 A:CYS208 4.8 54.4 0.5
CB A:CYS208 4.8 45.3 0.5
HD1 A:PHE217 4.8 64.0 1.0
SG A:CYS198 4.9 27.5 0.5
O A:PRO203 4.9 46.5 1.0
HB3 A:CYS208 4.9 49.2 0.5
N A:SER204 5.0 39.8 1.0
CA A:PRO203 5.0 35.2 1.0

Iron binding site 4 out of 8 in 9bs2

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Iron binding site 4 out of 8 in the Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution


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 R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:25.0
occ:0.47
FE2 A:SF4401 0.0 25.0 0.5
FE2 A:SF4401 1.5 25.9 0.5
FE1 A:SF4401 1.5 23.9 0.5
S3 A:SF4401 1.5 23.5 0.5
FE4 A:SF4401 1.8 25.3 0.5
S1 A:SF4401 2.2 23.9 0.5
SG A:CYS205 2.2 42.3 0.5
S4 A:SF4401 2.3 23.1 0.5
S3 A:SF4401 2.3 22.6 0.5
S4 A:SF4401 2.4 23.1 0.5
FE3 A:SF4401 2.4 22.9 0.5
S1 A:SF4401 2.6 23.9 0.5
S2 A:SF4401 2.6 22.9 0.5
FE3 A:SF4401 2.7 22.9 0.5
FE4 A:SF4401 2.7 25.2 0.5
FE1 A:SF4401 2.8 23.4 0.5
HA A:CYS205 3.1 57.4 0.5
HA A:CYS205 3.2 57.1 0.5
HB3 A:CYS205 3.5 56.5 0.5
CB A:CYS205 3.6 47.9 0.5
SG A:CYS205 3.6 34.8 0.5
SG A:CYS208 3.7 32.8 0.5
CB A:CYS205 3.8 47.1 0.5
CA A:CYS205 3.8 47.6 0.5
CA A:CYS205 3.8 47.8 0.5
HB3 A:CYS205 3.9 57.4 0.5
S2 A:SF4401 3.9 23.2 0.5
HB2 A:CYS208 3.9 54.4 0.5
HB2 A:CYS208 3.9 49.2 0.5
HB2 A:PHE217 3.9 68.6 1.0
SG A:CYS214 4.0 38.0 0.5
HB3 A:CYS208 4.1 54.4 0.5
HB3 A:CYS208 4.1 49.2 0.5
CB A:CYS208 4.2 45.3 0.5
HB2 A:PRO203 4.2 49.6 1.0
HB2 A:CYS205 4.3 57.4 0.5
SG A:CYS214 4.3 49.5 0.5
CB A:CYS208 4.4 41.0 0.5
HB2 A:CYS214 4.4 60.1 0.5
HA A:GLN211 4.4 58.6 0.5
HB2 A:CYS214 4.5 60.4 0.5
N A:CYS205 4.6 45.4 1.0
SG A:CYS208 4.6 37.7 0.5
SG A:CYS198 4.6 27.2 0.5
HB2 A:CYS198 4.6 35.6 0.5
HB3 A:CYS214 4.6 60.4 0.5
CB A:CYS214 4.7 50.1 0.5
HB3 A:CYS214 4.7 60.1 0.5
SG A:CYS198 4.7 27.5 0.5
HA A:GLN211 4.7 61.5 0.5
HB2 A:CYS205 4.7 56.5 0.5
HD3 A:ARG153 4.7 36.2 1.0
CB A:CYS214 4.8 50.4 0.5
HA A:CYS198 4.8 34.5 0.5
HA A:CYS198 4.8 34.7 0.5
HB2 A:ALA222 4.9 51.6 1.0
H A:CYS205 4.9 54.4 0.5
H A:CYS205 4.9 54.4 0.5
CB A:PHE217 4.9 57.2 1.0
HG12 A:VAL197 4.9 43.1 1.0
C A:CYS205 4.9 42.6 1.0
HB3 A:ARG153 5.0 40.1 1.0
O A:CYS205 5.0 53.3 1.0
HB1 A:ALA222 5.0 51.6 1.0

Iron binding site 5 out of 8 in 9bs2

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Iron binding site 5 out of 8 in the Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution


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 R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:22.9
occ:0.53
FE3 A:SF4401 0.0 22.9 0.5
FE3 A:SF4401 1.3 22.9 0.5
S1 A:SF4401 1.9 23.9 0.5
S4 A:SF4401 2.2 23.1 0.5
S1 A:SF4401 2.3 23.9 0.5
S4 A:SF4401 2.3 23.1 0.5
S2 A:SF4401 2.3 22.9 0.5
SG A:CYS198 2.3 27.5 0.5
FE2 A:SF4401 2.4 25.0 0.5
SG A:CYS198 2.4 27.2 0.5
FE1 A:SF4401 2.7 23.9 0.5
FE4 A:SF4401 2.7 25.3 0.5
FE2 A:SF4401 2.7 25.9 0.5
HB2 A:CYS198 2.9 35.6 0.5
HD3 A:ARG153 3.0 36.2 1.0
HA A:CYS198 3.1 34.5 0.5
CB A:CYS198 3.1 29.7 0.5
HA A:CYS198 3.2 34.7 0.5
FE4 A:SF4401 3.4 25.2 0.5
CB A:CYS198 3.4 28.8 0.5
HH11 A:ARG153 3.4 34.3 1.0
FE1 A:SF4401 3.5 23.4 0.5
HB2 A:CYS198 3.5 34.5 0.5
S2 A:SF4401 3.6 23.2 0.5
CA A:CYS198 3.7 28.9 0.5
CA A:CYS198 3.7 28.8 0.5
HB2 A:PRO203 3.8 49.6 1.0
S3 A:SF4401 3.9 23.5 0.5
CD A:ARG153 3.9 30.2 1.0
SG A:CYS205 4.0 42.3 0.5
HB3 A:CYS198 4.0 35.6 0.5
HB3 A:ARG153 4.1 40.1 1.0
HD2 A:ARG153 4.1 36.2 1.0
NH1 A:ARG153 4.1 28.6 1.0
HB3 A:PRO203 4.1 49.6 1.0
HB2 A:ARG153 4.2 40.1 1.0
S3 A:SF4401 4.2 22.6 0.5
HB3 A:CYS198 4.2 34.5 0.5
CB A:PRO203 4.4 41.4 1.0
HH12 A:ARG153 4.5 34.3 1.0
CB A:ARG153 4.5 33.5 1.0
HB1 A:ALA222 4.5 51.6 1.0
HA A:VAL150 4.7 34.8 1.0
SG A:CYS208 4.7 32.8 0.5
N A:CYS198 4.7 30.0 1.0
CG A:ARG153 4.7 33.6 1.0
C A:CYS198 4.7 29.0 1.0
NE A:ARG153 4.7 38.8 1.0
HG12 A:VAL197 4.8 43.1 1.0
SG A:CYS214 4.8 38.0 0.5
CZ A:ARG153 4.8 31.1 1.0
SG A:CYS205 4.8 34.8 0.5
HA A:CYS205 4.9 57.4 0.5
HA A:CYS205 4.9 57.1 0.5
SG A:CYS214 4.9 49.5 0.5
HG3 A:PRO203 4.9 38.2 1.0
HG2 A:ARG153 5.0 40.4 1.0

Iron binding site 6 out of 8 in 9bs2

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Iron binding site 6 out of 8 in the Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution


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 R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:22.9
occ:0.47
FE3 A:SF4401 0.0 22.9 0.5
S2 A:SF4401 1.2 22.9 0.5
FE3 A:SF4401 1.3 22.9 0.5
SG A:CYS198 2.2 27.2 0.5
S4 A:SF4401 2.2 23.1 0.5
S1 A:SF4401 2.3 23.9 0.5
S2 A:SF4401 2.3 23.2 0.5
FE1 A:SF4401 2.5 23.9 0.5
HB2 A:CYS198 2.6 35.6 0.5
SG A:CYS198 2.7 27.5 0.5
FE2 A:SF4401 2.7 25.0 0.5
FE1 A:SF4401 2.7 23.4 0.5
FE4 A:SF4401 2.7 25.2 0.5
FE4 A:SF4401 2.7 25.3 0.5
S4 A:SF4401 3.0 23.1 0.5
CB A:CYS198 3.1 29.7 0.5
S1 A:SF4401 3.2 23.9 0.5
HB2 A:CYS198 3.2 34.5 0.5
CB A:CYS198 3.3 28.8 0.5
FE2 A:SF4401 3.6 25.9 0.5
HA A:CYS198 3.7 34.5 0.5
HD3 A:ARG153 3.7 36.2 1.0
HB3 A:CYS198 3.8 35.6 0.5
HA A:CYS198 3.8 34.7 0.5
S3 A:SF4401 3.9 22.6 0.5
S3 A:SF4401 4.0 23.5 0.5
HB2 A:ARG153 4.0 40.1 1.0
HA A:VAL150 4.1 34.8 1.0
CA A:CYS198 4.1 28.8 0.5
HB3 A:CYS198 4.1 34.5 0.5
CA A:CYS198 4.1 28.9 0.5
HB3 A:ARG153 4.1 40.1 1.0
SG A:CYS208 4.1 32.8 0.5
HH11 A:ARG153 4.2 34.3 1.0
HG13 A:VAL150 4.3 39.1 1.0
HG22 A:VAL150 4.3 35.3 1.0
HD2 A:ARG153 4.5 36.2 1.0
CD A:ARG153 4.5 30.2 1.0
HD21 A:LEU193 4.5 49.3 1.0
CB A:ARG153 4.5 33.5 1.0
SG A:CYS214 4.6 49.5 0.5
SG A:CYS214 4.6 38.0 0.5
HG A:LEU154 4.7 53.6 1.0
SG A:CYS205 4.7 42.3 0.5
SG A:CYS208 4.7 37.7 0.5
HG12 A:VAL197 4.8 43.1 1.0
HB2 A:CYS208 4.8 49.2 0.5
HG A:LEU193 4.9 42.7 1.0
N A:CYS198 4.9 30.0 1.0
HB2 A:CYS214 4.9 60.1 0.5
HG23 A:VAL210 5.0 49.9 0.5
HD23 A:LEU154 5.0 54.8 1.0
CA A:VAL150 5.0 29.0 1.0
HD21 A:LEU154 5.0 54.8 1.0
HG23 A:VAL210 5.0 50.1 0.5

Iron binding site 7 out of 8 in 9bs2

Go back to Iron Binding Sites List in 9bs2
Iron binding site 7 out of 8 in the Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution


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 R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:25.3
occ:0.53
FE4 A:SF4401 0.0 25.3 0.5
S1 A:SF4401 1.3 23.9 0.5
FE4 A:SF4401 1.5 25.2 0.5
FE2 A:SF4401 1.8 25.0 0.5
S3 A:SF4401 2.3 23.5 0.5
S1 A:SF4401 2.3 23.9 0.5
S2 A:SF4401 2.3 22.9 0.5
SG A:CYS214 2.3 38.0 0.5
S3 A:SF4401 2.4 22.6 0.5
SG A:CYS214 2.6 49.5 0.5
FE1 A:SF4401 2.7 23.9 0.5
FE2 A:SF4401 2.7 25.9 0.5
FE3 A:SF4401 2.7 22.9 0.5
FE3 A:SF4401 2.7 22.9 0.5
HB2 A:CYS214 3.2 60.1 0.5
FE1 A:SF4401 3.3 23.4 0.5
HB2 A:PHE217 3.3 68.6 1.0
SG A:CYS205 3.3 42.3 0.5
CB A:CYS214 3.3 50.1 0.5
HB2 A:CYS214 3.3 60.4 0.5
CB A:CYS214 3.4 50.4 0.5
S2 A:SF4401 3.4 23.2 0.5
HB3 A:CYS214 3.4 60.4 0.5
HB3 A:CYS214 3.6 60.1 0.5
S4 A:SF4401 3.6 23.1 0.5
HB3 A:ARG153 3.6 40.1 1.0
S4 A:SF4401 3.9 23.1 0.5
H A:PHE217 4.2 58.8 1.0
CB A:PHE217 4.2 57.2 1.0
HD3 A:ARG153 4.2 36.2 1.0
HB3 A:ALA216 4.3 57.5 1.0
HD23 A:LEU154 4.4 54.8 1.0
HB2 A:ALA222 4.4 51.6 1.0
CB A:ARG153 4.4 33.5 1.0
HA A:GLN211 4.4 58.6 0.5
HB3 A:PHE217 4.5 68.6 1.0
HB2 A:ARG153 4.5 40.1 1.0
HB3 A:CYS205 4.5 56.5 0.5
N A:PHE217 4.6 49.0 1.0
SG A:CYS205 4.6 34.8 0.5
SG A:CYS198 4.7 27.2 0.5
HA A:CYS205 4.7 57.4 0.5
HA A:GLN211 4.7 61.5 0.5
CA A:CYS214 4.7 59.1 0.5
HA A:CYS205 4.8 57.1 0.5
SG A:CYS208 4.8 32.8 0.5
HA A:PHE217 4.8 73.0 1.0
HB1 A:ALA222 4.8 51.6 1.0
CA A:CYS214 4.8 59.2 0.5
CB A:CYS205 4.8 47.9 0.5
CA A:PHE217 4.8 60.9 1.0
SG A:CYS198 4.8 27.5 0.5
HA A:CYS214 4.9 70.9 0.5
HB3 A:CYS205 4.9 57.4 0.5

Iron binding site 8 out of 8 in 9bs2

Go back to Iron Binding Sites List in 9bs2
Iron binding site 8 out of 8 in the Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution


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 R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:25.2
occ:0.47
FE4 A:SF4401 0.0 25.2 0.5
FE4 A:SF4401 1.5 25.3 0.5
S2 A:SF4401 1.7 22.9 0.5
HB2 A:CYS214 2.2 60.1 0.5
SG A:CYS214 2.3 49.5 0.5
S3 A:SF4401 2.3 22.6 0.5
S2 A:SF4401 2.3 23.2 0.5
S1 A:SF4401 2.3 23.9 0.5
SG A:CYS214 2.3 38.0 0.5
HB2 A:CYS214 2.4 60.4 0.5
FE2 A:SF4401 2.7 25.0 0.5
FE1 A:SF4401 2.7 23.4 0.5
CB A:CYS214 2.7 50.1 0.5
CB A:CYS214 2.7 50.4 0.5
FE3 A:SF4401 2.7 22.9 0.5
FE1 A:SF4401 2.9 23.9 0.5
S3 A:SF4401 3.0 23.5 0.5
HD23 A:LEU154 3.0 54.8 1.0
HB3 A:CYS214 3.1 60.4 0.5
HB3 A:CYS214 3.2 60.1 0.5
FE3 A:SF4401 3.4 22.9 0.5
S1 A:SF4401 3.6 23.9 0.5
HD21 A:LEU154 3.6 54.8 1.0
CD2 A:LEU154 3.7 45.6 1.0
S4 A:SF4401 3.8 23.1 0.5
HB3 A:ARG153 3.9 40.1 1.0
HA A:GLN211 4.0 58.6 0.5
HA A:CYS214 4.0 70.9 0.5
CA A:CYS214 4.0 59.1 0.5
FE2 A:SF4401 4.0 25.9 0.5
HB2 A:PHE217 4.0 68.6 1.0
HG A:LEU154 4.0 53.6 1.0
CA A:CYS214 4.1 59.2 0.5
HA A:CYS214 4.1 71.0 0.5
HG23 A:VAL210 4.1 50.1 0.5
HA A:LEU154 4.1 52.2 1.0
HA A:GLN211 4.2 61.5 0.5
HG23 A:VAL210 4.2 49.9 0.5
CG A:LEU154 4.5 44.7 1.0
SG A:CYS208 4.5 32.8 0.5
HD22 A:LEU154 4.5 54.8 1.0
HB2 A:ARG153 4.5 40.1 1.0
SG A:CYS205 4.6 42.3 0.5
S4 A:SF4401 4.6 23.1 0.5
H A:PHE217 4.6 58.8 1.0
CB A:ARG153 4.7 33.5 1.0
O A:VAL210 4.7 46.8 0.5
SG A:CYS198 4.7 27.2 0.5
O A:VAL210 4.8 46.7 0.5
SG A:CYS208 4.8 37.7 0.5
N A:CYS214 4.8 56.9 0.5
HB3 A:PHE217 4.8 68.6 1.0
N A:LEU154 4.8 37.1 1.0
CB A:PHE217 4.9 57.2 1.0
N A:CYS214 4.9 56.9 0.5
CA A:LEU154 4.9 43.6 1.0
CA A:GLN211 4.9 48.8 0.5
H A:CYS214 4.9 68.2 0.5
H A:CYS214 4.9 68.3 0.5
HB3 A:ALA216 4.9 57.5 1.0
HD3 A:ARG153 5.0 36.2 1.0

Reference:

C.H.Trasvina-Arenas, U.C.Dissanayake, N.Tamayo, S.M.Hashemian, W.J.Lin, M.Demir, N.Hoyos-Gonzalez, A.J.Fisher, G.A.Cisneros, M.P.Horvath, S.S.David. Structural and Functional Profiling of Mutyh Cancer-Associated Variants Reveal An Allosteric Role For Its [4FE-4S] Cluster Cofactor To Be Published.
Page generated: Wed Nov 13 10:37:40 2024

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