Zinc in PDB 4aia: The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus
Enzymatic activity of The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus
All present enzymatic activity of The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus:
3.2.2.20;
Protein crystallography data
The structure of The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus, PDB code: 4aia
was solved by
X.Yan,
J.H.Naismith,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
28.19 /
1.80
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
73.000,
78.590,
179.810,
90.00,
90.56,
90.00
|
R / Rfree (%)
|
17.846 /
21.82
|
Zinc Binding Sites:
The binding sites of Zinc atom in the The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus
(pdb code 4aia). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the
The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus, PDB code: 4aia:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
Zinc binding site 1 out
of 5 in 4aia
Go back to
Zinc Binding Sites List in 4aia
Zinc binding site 1 out
of 5 in the The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn200
b:5.2
occ:1.00
|
NE2
|
A:HIS17
|
2.0
|
8.2
|
1.0
|
ND1
|
A:HIS175
|
2.0
|
6.9
|
1.0
|
SG
|
A:CYS4
|
2.3
|
7.5
|
1.0
|
SG
|
A:CYS179
|
2.3
|
7.7
|
1.0
|
CE1
|
A:HIS17
|
2.9
|
8.1
|
1.0
|
CE1
|
A:HIS175
|
2.9
|
6.8
|
1.0
|
CD2
|
A:HIS17
|
3.1
|
8.5
|
1.0
|
CG
|
A:HIS175
|
3.1
|
6.9
|
1.0
|
CB
|
A:CYS4
|
3.2
|
8.3
|
1.0
|
CB
|
A:CYS179
|
3.2
|
8.3
|
1.0
|
CB
|
A:HIS175
|
3.6
|
7.1
|
1.0
|
ND1
|
A:HIS17
|
4.0
|
8.2
|
1.0
|
CA
|
A:HIS175
|
4.1
|
6.9
|
1.0
|
NE2
|
A:HIS175
|
4.1
|
6.8
|
1.0
|
CG
|
A:HIS17
|
4.2
|
8.3
|
1.0
|
CD2
|
A:HIS175
|
4.2
|
6.8
|
1.0
|
CB
|
A:SER181
|
4.2
|
9.1
|
1.0
|
CA
|
A:CYS4
|
4.5
|
8.8
|
1.0
|
C
|
A:CYS4
|
4.6
|
8.9
|
1.0
|
N
|
A:LEU176
|
4.6
|
7.4
|
1.0
|
CA
|
A:CYS179
|
4.6
|
9.0
|
1.0
|
CZ3
|
A:TRP21
|
4.7
|
7.6
|
1.0
|
O
|
A:CYS4
|
4.8
|
8.4
|
1.0
|
N
|
A:LYS182
|
4.8
|
10.0
|
1.0
|
C
|
A:SER181
|
4.8
|
9.7
|
1.0
|
C
|
A:HIS175
|
4.9
|
7.2
|
1.0
|
N
|
A:SER181
|
4.9
|
9.6
|
1.0
|
CA
|
A:SER181
|
4.9
|
9.7
|
1.0
|
N
|
A:ALA5
|
4.9
|
9.7
|
1.0
|
CE3
|
A:TRP21
|
4.9
|
7.7
|
1.0
|
|
Zinc binding site 2 out
of 5 in 4aia
Go back to
Zinc Binding Sites List in 4aia
Zinc binding site 2 out
of 5 in the The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn200
b:13.1
occ:1.00
|
NE2
|
B:HIS17
|
2.1
|
14.7
|
1.0
|
ND1
|
B:HIS175
|
2.2
|
13.9
|
1.0
|
SG
|
B:CYS4
|
2.3
|
17.5
|
1.0
|
SG
|
B:CYS179
|
2.3
|
18.2
|
1.0
|
CE1
|
B:HIS175
|
3.0
|
13.3
|
1.0
|
CE1
|
B:HIS17
|
3.0
|
15.3
|
1.0
|
CD2
|
B:HIS17
|
3.1
|
14.1
|
1.0
|
CG
|
B:HIS175
|
3.3
|
14.0
|
1.0
|
CB
|
B:CYS4
|
3.3
|
19.6
|
1.0
|
CB
|
B:CYS179
|
3.3
|
19.7
|
1.0
|
CB
|
B:HIS175
|
3.7
|
15.0
|
1.0
|
ND1
|
B:HIS17
|
4.1
|
14.8
|
1.0
|
CA
|
B:HIS175
|
4.2
|
15.1
|
1.0
|
NE2
|
B:HIS175
|
4.2
|
12.8
|
1.0
|
CG
|
B:HIS17
|
4.2
|
14.1
|
1.0
|
CD2
|
B:HIS175
|
4.3
|
13.2
|
1.0
|
CB
|
B:SER181
|
4.5
|
18.8
|
1.0
|
CA
|
B:CYS4
|
4.5
|
20.1
|
1.0
|
N
|
B:LEU176
|
4.5
|
17.0
|
1.0
|
C
|
B:CYS4
|
4.5
|
19.2
|
1.0
|
CA
|
B:CYS179
|
4.7
|
21.2
|
1.0
|
O
|
B:CYS4
|
4.8
|
18.4
|
1.0
|
N
|
B:ALA5
|
4.8
|
19.4
|
1.0
|
C
|
B:HIS175
|
4.9
|
16.2
|
1.0
|
CZ3
|
B:TRP21
|
4.9
|
12.3
|
1.0
|
N
|
B:LYS182
|
4.9
|
19.6
|
1.0
|
|
Zinc binding site 3 out
of 5 in 4aia
Go back to
Zinc Binding Sites List in 4aia
Zinc binding site 3 out
of 5 in the The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn200
b:21.8
occ:1.00
|
NE2
|
C:HIS17
|
2.1
|
23.8
|
1.0
|
ND1
|
C:HIS175
|
2.1
|
23.6
|
1.0
|
SG
|
C:CYS179
|
2.2
|
30.5
|
1.0
|
SG
|
C:CYS4
|
2.3
|
27.1
|
1.0
|
CE1
|
C:HIS17
|
2.9
|
24.9
|
1.0
|
CE1
|
C:HIS175
|
2.9
|
23.1
|
1.0
|
CB
|
C:CYS179
|
3.2
|
31.8
|
1.0
|
CD2
|
C:HIS17
|
3.2
|
22.6
|
1.0
|
CG
|
C:HIS175
|
3.2
|
23.7
|
1.0
|
CB
|
C:CYS4
|
3.3
|
29.0
|
1.0
|
CB
|
C:HIS175
|
3.7
|
24.6
|
1.0
|
ND1
|
C:HIS17
|
4.1
|
24.2
|
1.0
|
NE2
|
C:HIS175
|
4.1
|
22.6
|
1.0
|
CA
|
C:HIS175
|
4.2
|
23.7
|
1.0
|
CG
|
C:HIS17
|
4.2
|
22.9
|
1.0
|
CD2
|
C:HIS175
|
4.3
|
23.0
|
1.0
|
CB
|
C:SER181
|
4.3
|
33.0
|
1.0
|
CA
|
C:CYS4
|
4.5
|
28.7
|
1.0
|
C
|
C:CYS4
|
4.5
|
27.4
|
1.0
|
N
|
C:LEU176
|
4.6
|
25.7
|
1.0
|
CA
|
C:CYS179
|
4.6
|
34.3
|
1.0
|
CZ3
|
C:TRP21
|
4.8
|
20.4
|
1.0
|
O
|
C:CYS4
|
4.8
|
26.4
|
1.0
|
N
|
C:LYS182
|
4.8
|
34.8
|
1.0
|
N
|
C:ALA5
|
4.9
|
27.9
|
1.0
|
C
|
C:SER181
|
4.9
|
34.1
|
1.0
|
C
|
C:HIS175
|
4.9
|
25.1
|
1.0
|
N
|
C:SER181
|
4.9
|
35.7
|
1.0
|
CA
|
C:SER181
|
4.9
|
34.7
|
1.0
|
|
Zinc binding site 4 out
of 5 in 4aia
Go back to
Zinc Binding Sites List in 4aia
Zinc binding site 4 out
of 5 in the The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn200
b:12.3
occ:1.00
|
NE2
|
D:HIS17
|
1.9
|
18.4
|
1.0
|
ND1
|
D:HIS175
|
2.0
|
15.1
|
1.0
|
SG
|
D:CYS4
|
2.3
|
15.8
|
1.0
|
SG
|
D:CYS179
|
2.3
|
15.4
|
1.0
|
CE1
|
D:HIS17
|
2.6
|
18.1
|
1.0
|
CE1
|
D:HIS175
|
2.9
|
15.5
|
1.0
|
CD2
|
D:HIS17
|
3.1
|
19.3
|
1.0
|
CB
|
D:CYS179
|
3.2
|
16.0
|
1.0
|
CG
|
D:HIS175
|
3.2
|
15.1
|
1.0
|
CB
|
D:CYS4
|
3.2
|
17.1
|
1.0
|
CB
|
D:HIS175
|
3.7
|
14.9
|
1.0
|
ND1
|
D:HIS17
|
3.8
|
18.3
|
1.0
|
NE2
|
D:HIS175
|
4.1
|
15.6
|
1.0
|
CG
|
D:HIS17
|
4.1
|
18.8
|
1.0
|
CA
|
D:HIS175
|
4.2
|
14.1
|
1.0
|
CD2
|
D:HIS175
|
4.2
|
15.4
|
1.0
|
CB
|
D:SER181
|
4.2
|
20.2
|
1.0
|
CA
|
D:CYS4
|
4.5
|
17.2
|
1.0
|
C
|
D:CYS4
|
4.6
|
17.8
|
1.0
|
N
|
D:LEU176
|
4.6
|
14.2
|
1.0
|
CA
|
D:CYS179
|
4.6
|
16.9
|
1.0
|
CZ3
|
D:TRP21
|
4.8
|
15.7
|
1.0
|
C
|
D:SER181
|
4.8
|
21.2
|
1.0
|
O
|
D:CYS4
|
4.8
|
17.4
|
1.0
|
N
|
D:ALA5
|
4.9
|
19.1
|
1.0
|
N
|
D:LYS182
|
4.9
|
21.3
|
1.0
|
C
|
D:HIS175
|
4.9
|
14.2
|
1.0
|
CA
|
D:SER181
|
4.9
|
20.9
|
1.0
|
N
|
D:SER181
|
4.9
|
20.2
|
1.0
|
OG
|
D:SER181
|
5.0
|
21.0
|
1.0
|
|
Zinc binding site 5 out
of 5 in 4aia
Go back to
Zinc Binding Sites List in 4aia
Zinc binding site 5 out
of 5 in the The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of The Structural Basis of 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn200
b:14.5
occ:1.00
|
ND1
|
E:HIS175
|
2.1
|
16.1
|
1.0
|
CE1
|
E:HIS17
|
2.1
|
19.6
|
1.0
|
SG
|
E:CYS179
|
2.3
|
17.6
|
1.0
|
SG
|
E:CYS4
|
2.3
|
17.0
|
1.0
|
NE2
|
E:HIS17
|
2.3
|
19.5
|
1.0
|
CE1
|
E:HIS175
|
2.8
|
16.7
|
1.0
|
CB
|
E:CYS4
|
3.2
|
18.7
|
1.0
|
CB
|
E:CYS179
|
3.2
|
17.6
|
1.0
|
CG
|
E:HIS175
|
3.2
|
16.1
|
1.0
|
ND1
|
E:HIS17
|
3.4
|
20.3
|
1.0
|
CD2
|
E:HIS17
|
3.7
|
19.4
|
1.0
|
CB
|
E:HIS175
|
3.8
|
15.9
|
1.0
|
NE2
|
E:HIS175
|
4.1
|
16.9
|
1.0
|
CA
|
E:HIS175
|
4.2
|
15.3
|
1.0
|
CG
|
E:HIS17
|
4.2
|
19.9
|
1.0
|
CD2
|
E:HIS175
|
4.3
|
16.5
|
1.0
|
CB
|
E:SER181
|
4.3
|
20.8
|
1.0
|
CA
|
E:CYS4
|
4.5
|
19.3
|
1.0
|
N
|
E:LEU176
|
4.5
|
15.7
|
1.0
|
C
|
E:CYS4
|
4.6
|
20.0
|
1.0
|
CA
|
E:CYS179
|
4.6
|
18.6
|
1.0
|
CZ3
|
E:TRP21
|
4.8
|
16.8
|
1.0
|
O
|
E:CYS4
|
4.9
|
19.3
|
1.0
|
C
|
E:HIS175
|
4.9
|
15.6
|
1.0
|
C
|
E:SER181
|
4.9
|
21.2
|
1.0
|
N
|
E:ALA5
|
4.9
|
21.6
|
1.0
|
N
|
E:SER181
|
4.9
|
21.0
|
1.0
|
CA
|
E:SER181
|
4.9
|
21.4
|
1.0
|
N
|
E:LYS182
|
4.9
|
21.3
|
1.0
|
CE3
|
E:TRP21
|
5.0
|
17.2
|
1.0
|
|
Reference:
X.Zhu,
X.Yan,
L.G.Carter,
H.Liu,
S.Graham,
P.J.Coote,
J.H.Naismith.
A Model For 3-Methyladenine Recognition By 3-Methyladenine Dna Glycosylase I (Tag) From Staphylococcus Aureus. Acta Crystallogr.,Sect.F V. 68 610 2012.
ISSN: ISSN 1744-3091
PubMed: 22684054
DOI: 10.1107/S1744309112016363
Page generated: Sat Oct 26 19:14:39 2024
|