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Iron in PDB 6ajp: Complex Form of Uracil Dna Glycosylase X and Deoxyuridine Monophosphate.

Protein crystallography data

The structure of Complex Form of Uracil Dna Glycosylase X and Deoxyuridine Monophosphate., PDB code: 6ajp was solved by W.C.Ahn, S.Aroli, U.Varshney, E.J.Woo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.88 / 1.33
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 36.436, 51.209, 54.533, 90.00, 104.98, 90.00
R / Rfree (%) 16.3 / 18.7

Iron Binding Sites:

The binding sites of Iron atom in the Complex Form of Uracil Dna Glycosylase X and Deoxyuridine Monophosphate. (pdb code 6ajp). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Complex Form of Uracil Dna Glycosylase X and Deoxyuridine Monophosphate., PDB code: 6ajp:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 6ajp

Go back to Iron Binding Sites List in 6ajp
Iron binding site 1 out of 4 in the Complex Form of Uracil Dna Glycosylase X and Deoxyuridine Monophosphate.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Complex Form of Uracil Dna Glycosylase X and Deoxyuridine Monophosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe302

b:11.5
occ:1.00
FE1 A:SF4302 0.0 11.5 1.0
S3 A:SF4302 2.3 11.4 1.0
S4 A:SF4302 2.3 12.1 1.0
SG A:CYS27 2.3 12.6 1.0
S2 A:SF4302 2.3 11.2 1.0
FE3 A:SF4302 2.7 11.3 1.0
FE4 A:SF4302 2.7 10.8 1.0
FE2 A:SF4302 2.8 11.7 1.0
H A:CYS27 2.9 15.7 1.0
N A:CYS27 3.4 13.1 1.0
CB A:CYS27 3.4 13.0 1.0
HB3 A:CYS27 3.4 15.7 1.0
HB2 A:LEU29 3.5 15.0 1.0
CA A:CYS27 3.8 13.4 1.0
H A:LEU29 3.9 16.2 1.0
S1 A:SF4302 4.0 11.4 1.0
HB2 A:CYS120 4.1 13.3 1.0
C A:CYS27 4.2 14.3 1.0
C A:GLY26 4.2 14.0 1.0
HB2 A:CYS27 4.2 15.7 1.0
HD12 A:LEU29 4.3 18.4 1.0
H A:GLY26 4.4 15.6 1.0
O A:CYS27 4.4 16.1 1.0
HA3 A:GLY26 4.4 18.4 1.0
CB A:LEU29 4.5 12.5 1.0
H A:TYR30 4.5 15.5 1.0
HB2 A:HIS95 4.5 13.2 1.0
ND1 A:HIS95 4.5 11.5 1.0
N A:GLY26 4.6 13.0 1.0
HG13 A:VAL93 4.6 23.2 1.0
N A:LEU29 4.6 13.5 1.0
HG A:LEU29 4.6 15.2 1.0
CA A:GLY26 4.6 15.3 1.0
HA A:CYS27 4.7 16.1 1.0
HB3 A:ALA119 4.7 16.0 1.0
SG A:CYS120 4.7 10.5 1.0
CB A:CYS120 4.8 11.1 1.0
HA A:CYS120 4.8 13.8 1.0
HB1 A:ALA119 4.9 16.0 1.0
N A:GLY28 4.9 14.5 1.0
CG A:LEU29 5.0 12.7 1.0
SG A:CYS24 5.0 12.2 1.0
HB3 A:TYR30 5.0 16.3 1.0

Iron binding site 2 out of 4 in 6ajp

Go back to Iron Binding Sites List in 6ajp
Iron binding site 2 out of 4 in the Complex Form of Uracil Dna Glycosylase X and Deoxyuridine Monophosphate.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Complex Form of Uracil Dna Glycosylase X and Deoxyuridine Monophosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe302

b:11.7
occ:1.00
FE2 A:SF4302 0.0 11.7 1.0
S1 A:SF4302 2.3 11.4 1.0
S3 A:SF4302 2.3 11.4 1.0
SG A:CYS24 2.3 12.2 1.0
S4 A:SF4302 2.3 12.1 1.0
FE3 A:SF4302 2.6 11.3 1.0
FE4 A:SF4302 2.7 10.8 1.0
FE1 A:SF4302 2.8 11.5 1.0
H A:GLY26 2.9 15.6 1.0
HB3 A:CYS24 3.0 17.5 1.0
CB A:CYS24 3.3 14.6 1.0
HE1 A:TRP123 3.3 14.7 1.0
HA3 A:GLY26 3.6 18.4 1.0
N A:GLY26 3.6 13.0 1.0
H A:CYS27 3.6 15.7 1.0
HB2 A:ALA4 3.7 16.1 1.0
HB2 A:CYS24 3.9 17.5 1.0
S2 A:SF4302 3.9 11.2 1.0
CA A:GLY26 4.0 15.3 1.0
NE1 A:TRP123 4.1 12.2 1.0
HE1 A:HIS95 4.1 14.5 1.0
C A:CYS24 4.2 12.4 1.0
N A:CYS27 4.3 13.1 1.0
HD1 A:TRP123 4.3 14.1 1.0
CA A:CYS24 4.3 12.6 1.0
ND1 A:HIS95 4.4 11.5 1.0
O A:CYS24 4.4 13.9 1.0
HB1 A:ALA4 4.4 16.1 1.0
N A:ARG25 4.5 11.7 1.0
CB A:ALA4 4.5 13.4 1.0
C A:GLY26 4.6 14.0 1.0
C A:ARG25 4.6 15.8 1.0
CD1 A:TRP123 4.6 11.8 1.0
CE1 A:HIS95 4.6 12.1 1.0
HA A:CYS120 4.6 13.8 1.0
HA A:ARG25 4.6 16.7 1.0
SG A:CYS120 4.7 10.5 1.0
H A:ARG25 4.8 14.0 1.0
HB3 A:TYR30 4.8 16.3 1.0
HA A:ALA4 4.8 17.6 1.0
HA A:CYS24 4.8 15.1 1.0
CA A:ARG25 4.8 13.9 1.0
HA2 A:GLY26 4.9 18.4 1.0

Iron binding site 3 out of 4 in 6ajp

Go back to Iron Binding Sites List in 6ajp
Iron binding site 3 out of 4 in the Complex Form of Uracil Dna Glycosylase X and Deoxyuridine Monophosphate.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Complex Form of Uracil Dna Glycosylase X and Deoxyuridine Monophosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe302

b:11.3
occ:1.00
FE3 A:SF4302 0.0 11.3 1.0
ND1 A:HIS95 2.1 11.5 1.0
S2 A:SF4302 2.3 11.2 1.0
S4 A:SF4302 2.3 12.1 1.0
S1 A:SF4302 2.3 11.4 1.0
FE2 A:SF4302 2.6 11.7 1.0
FE4 A:SF4302 2.7 10.8 1.0
FE1 A:SF4302 2.7 11.5 1.0
CE1 A:HIS95 2.9 12.1 1.0
HE1 A:HIS95 3.0 14.5 1.0
HB2 A:HIS95 3.1 13.2 1.0
CG A:HIS95 3.2 11.7 1.0
CB A:HIS95 3.6 11.0 1.0
H A:HIS95 3.8 11.8 1.0
S3 A:SF4302 3.8 11.4 1.0
HB2 A:LEU29 3.9 15.0 1.0
HB3 A:TYR30 3.9 16.3 1.0
N A:HIS95 4.0 9.8 1.0
HB3 A:CYS24 4.1 17.5 1.0
HB2 A:LYS94 4.1 16.6 1.0
NE2 A:HIS95 4.1 12.7 1.0
H A:LYS94 4.2 12.6 1.0
CD2 A:HIS95 4.2 11.5 1.0
H A:TYR30 4.3 15.5 1.0
HB3 A:LYS94 4.4 16.6 1.0
HB3 A:HIS95 4.4 13.2 1.0
CA A:HIS95 4.4 11.4 1.0
N A:TYR30 4.5 12.9 1.0
HA A:TYR30 4.5 16.2 1.0
C A:LYS94 4.5 11.1 1.0
CB A:LYS94 4.6 13.8 1.0
SG A:CYS27 4.6 12.6 1.0
H A:CYS27 4.7 15.7 1.0
CB A:TYR30 4.7 13.6 1.0
SG A:CYS24 4.7 12.2 1.0
SG A:CYS120 4.8 10.5 1.0
CB A:LEU29 4.8 12.5 1.0
HG13 A:VAL93 4.8 23.2 1.0
CA A:TYR30 4.8 13.5 1.0
N A:LYS94 4.8 10.5 1.0
HE2 A:HIS95 4.9 15.3 1.0
CB A:CYS24 4.9 14.6 1.0
CA A:LYS94 4.9 10.8 1.0
HB3 A:LEU29 4.9 15.0 1.0
HA A:HIS95 5.0 13.7 1.0
O A:CYS24 5.0 13.9 1.0
C A:LEU29 5.0 13.5 1.0

Iron binding site 4 out of 4 in 6ajp

Go back to Iron Binding Sites List in 6ajp
Iron binding site 4 out of 4 in the Complex Form of Uracil Dna Glycosylase X and Deoxyuridine Monophosphate.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Complex Form of Uracil Dna Glycosylase X and Deoxyuridine Monophosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe302

b:10.8
occ:1.00
FE4 A:SF4302 0.0 10.8 1.0
SG A:CYS120 2.3 10.5 1.0
S1 A:SF4302 2.3 11.4 1.0
S2 A:SF4302 2.3 11.2 1.0
S3 A:SF4302 2.3 11.4 1.0
FE3 A:SF4302 2.7 11.3 1.0
FE2 A:SF4302 2.7 11.7 1.0
FE1 A:SF4302 2.7 11.5 1.0
HB2 A:CYS120 3.0 13.3 1.0
CB A:CYS120 3.2 11.1 1.0
H A:LYS94 3.2 12.6 1.0
HA A:CYS120 3.4 13.8 1.0
HB2 A:LYS94 3.4 16.6 1.0
HD1 A:TRP123 3.5 14.1 1.0
CA A:CYS120 3.8 11.5 1.0
S4 A:SF4302 3.9 12.1 1.0
HB3 A:CYS120 4.0 13.3 1.0
N A:LYS94 4.0 10.5 1.0
HG13 A:VAL93 4.1 23.2 1.0
HE1 A:TRP123 4.2 14.7 1.0
CD1 A:TRP123 4.2 11.8 1.0
HA A:VAL93 4.2 13.2 1.0
CB A:LYS94 4.3 13.8 1.0
H A:HIS95 4.4 11.8 1.0
HB2 A:ALA4 4.4 16.1 1.0
HB3 A:LYS94 4.5 16.6 1.0
NE1 A:TRP123 4.5 12.2 1.0
ND1 A:HIS95 4.6 11.5 1.0
SG A:CYS24 4.7 12.2 1.0
N A:CYS120 4.7 11.7 1.0
CA A:LYS94 4.7 10.8 1.0
SG A:CYS27 4.7 12.6 1.0
HD3 A:LYS94 4.7 25.1 1.0
N A:HIS95 4.9 9.8 1.0
HB2 A:HIS95 4.9 13.2 1.0
C A:CYS120 5.0 11.1 1.0
H A:CYS120 5.0 14.1 1.0
CA A:VAL93 5.0 11.0 1.0
CG1 A:VAL93 5.0 19.4 1.0

Reference:

W.C.Ahn, S.Aroli, J.H.Kim, J.H.Moon, G.S.Lee, M.H.Lee, P.B.Sang, B.H.Oh, U.Varshney, E.J.Woo. Covalent Binding of Uracil Dna Glycosylase Udgx to Abasic Dna Upon Uracil Excision. Nat.Chem.Biol. V. 15 607 2019.
ISSN: ESSN 1552-4469
PubMed: 31101917
DOI: 10.1038/S41589-019-0289-3
Page generated: Sun Dec 13 16:20:21 2020

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