Sodium in PDB 9lnq: The Hung Bound to Dna Product Embedding 4PRIMER-OCH3-Du
Enzymatic activity of The Hung Bound to Dna Product Embedding 4PRIMER-OCH3-Du
All present enzymatic activity of The Hung Bound to Dna Product Embedding 4PRIMER-OCH3-Du:
3.2.2.27;
Protein crystallography data
The structure of The Hung Bound to Dna Product Embedding 4PRIMER-OCH3-Du, PDB code: 9lnq
was solved by
Y.Liu,
C.Zhou,
X.Zhan,
C.Fan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
24.74 /
1.74
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
48.86,
65.339,
98.979,
90,
90,
90
|
R / Rfree (%)
|
19.2 /
22.5
|
Sodium Binding Sites:
The binding sites of Sodium atom in the The Hung Bound to Dna Product Embedding 4PRIMER-OCH3-Du
(pdb code 9lnq). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the
The Hung Bound to Dna Product Embedding 4PRIMER-OCH3-Du, PDB code: 9lnq:
Jump to Sodium binding site number:
1;
2;
3;
Sodium binding site 1 out
of 3 in 9lnq
Go back to
Sodium Binding Sites List in 9lnq
Sodium binding site 1 out
of 3 in the The Hung Bound to Dna Product Embedding 4PRIMER-OCH3-Du
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of The Hung Bound to Dna Product Embedding 4PRIMER-OCH3-Du within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na101
b:30.0
occ:1.00
|
O4
|
A:KBC5
|
2.2
|
20.0
|
1.0
|
H
|
E:TYR147
|
2.4
|
26.6
|
1.0
|
HA
|
E:PRO146
|
2.6
|
19.9
|
1.0
|
H
|
E:PHE158
|
2.9
|
25.3
|
1.0
|
C4
|
A:KBC5
|
3.0
|
20.0
|
1.0
|
O
|
E:HOH588
|
3.0
|
30.1
|
1.0
|
O
|
E:HOH531
|
3.0
|
30.4
|
1.0
|
HD22
|
E:ASN204
|
3.2
|
25.8
|
1.0
|
N
|
E:TYR147
|
3.2
|
20.6
|
1.0
|
HD2
|
E:TYR147
|
3.2
|
24.4
|
1.0
|
C5
|
A:KBC5
|
3.3
|
20.0
|
1.0
|
HA
|
E:CYS157
|
3.3
|
25.3
|
1.0
|
HB3
|
E:PRO146
|
3.4
|
25.6
|
1.0
|
CA
|
E:PRO146
|
3.5
|
14.7
|
1.0
|
HA
|
E:ALA153
|
3.5
|
28.0
|
1.0
|
CD2
|
E:TYR147
|
3.5
|
19.1
|
1.0
|
HB3
|
E:ALA153
|
3.6
|
23.1
|
1.0
|
N
|
E:PHE158
|
3.7
|
19.2
|
1.0
|
HB2
|
E:ALA153
|
3.8
|
23.1
|
1.0
|
C
|
E:PRO146
|
3.9
|
20.3
|
1.0
|
ND2
|
E:ASN204
|
3.9
|
19.2
|
1.0
|
CB
|
E:PRO146
|
3.9
|
19.6
|
1.0
|
HB2
|
E:TYR147
|
4.0
|
24.7
|
1.0
|
HD21
|
E:ASN204
|
4.0
|
25.8
|
1.0
|
O
|
E:LEU156
|
4.0
|
20.6
|
1.0
|
CG
|
E:TYR147
|
4.0
|
20.8
|
1.0
|
CB
|
E:ALA153
|
4.0
|
17.9
|
1.0
|
CE2
|
E:TYR147
|
4.1
|
18.6
|
1.0
|
CA
|
E:CYS157
|
4.2
|
19.0
|
1.0
|
HE2
|
E:TYR147
|
4.2
|
23.9
|
1.0
|
HA
|
E:PHE158
|
4.2
|
23.2
|
1.0
|
N3
|
A:KBC5
|
4.2
|
20.0
|
1.0
|
CA
|
E:ALA153
|
4.2
|
22.1
|
1.0
|
CB
|
E:TYR147
|
4.3
|
19.4
|
1.0
|
CA
|
E:TYR147
|
4.3
|
16.5
|
1.0
|
H
|
E:SER159
|
4.4
|
27.2
|
1.0
|
C
|
E:CYS157
|
4.4
|
17.9
|
1.0
|
CA
|
E:PHE158
|
4.5
|
17.7
|
1.0
|
H
|
E:HIS154
|
4.5
|
24.8
|
1.0
|
HB2
|
E:PRO146
|
4.5
|
25.6
|
1.0
|
O
|
E:ASP145
|
4.6
|
21.8
|
1.0
|
N
|
E:PRO146
|
4.6
|
18.4
|
1.0
|
H
|
E:GLY155
|
4.6
|
30.4
|
1.0
|
C6
|
A:KBC5
|
4.7
|
20.0
|
1.0
|
C
|
E:LEU156
|
4.7
|
21.9
|
1.0
|
O
|
E:SER159
|
4.7
|
19.8
|
1.0
|
O
|
E:HOH596
|
4.8
|
29.9
|
1.0
|
HG3
|
E:PRO146
|
4.8
|
25.0
|
1.0
|
HA
|
E:TYR147
|
4.8
|
21.3
|
1.0
|
N
|
E:SER159
|
4.8
|
21.2
|
1.0
|
N
|
E:CYS157
|
4.9
|
18.9
|
1.0
|
CD1
|
E:TYR147
|
4.9
|
21.8
|
1.0
|
CZ
|
E:TYR147
|
4.9
|
23.1
|
1.0
|
CG
|
E:PRO146
|
4.9
|
18.9
|
1.0
|
HB2
|
E:CYS157
|
5.0
|
26.1
|
1.0
|
C
|
E:PHE158
|
5.0
|
23.2
|
1.0
|
HB1
|
E:ALA153
|
5.0
|
23.1
|
1.0
|
|
Sodium binding site 2 out
of 3 in 9lnq
Go back to
Sodium Binding Sites List in 9lnq
Sodium binding site 2 out
of 3 in the The Hung Bound to Dna Product Embedding 4PRIMER-OCH3-Du
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of The Hung Bound to Dna Product Embedding 4PRIMER-OCH3-Du within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Na401
b:27.4
occ:0.00
|
H
|
E:VAL118
|
2.3
|
29.9
|
1.0
|
O
|
E:HOH503
|
2.6
|
34.4
|
1.0
|
HH21
|
E:ARG113
|
2.6
|
31.1
|
1.0
|
HA
|
E:THR117
|
3.1
|
33.6
|
1.0
|
HG2
|
E:ARG113
|
3.1
|
37.2
|
1.0
|
N
|
E:VAL118
|
3.2
|
25.6
|
1.0
|
HD3
|
E:ARG113
|
3.2
|
32.2
|
1.0
|
HB
|
E:VAL118
|
3.3
|
24.1
|
1.0
|
HA
|
E:ARG113
|
3.4
|
30.5
|
1.0
|
NH2
|
E:ARG113
|
3.4
|
26.0
|
1.0
|
HB3
|
E:ARG113
|
3.5
|
35.6
|
1.0
|
O
|
E:VAL118
|
3.6
|
21.8
|
1.0
|
HG21
|
E:THR117
|
3.6
|
32.1
|
1.0
|
HH22
|
E:ARG113
|
3.7
|
31.1
|
1.0
|
CG
|
E:ARG113
|
3.8
|
31.9
|
1.0
|
O
|
E:HOH504
|
3.8
|
32.5
|
1.0
|
O
|
E:HOH598
|
3.8
|
34.7
|
1.0
|
CD
|
E:ARG113
|
3.9
|
27.6
|
1.0
|
O
|
E:TYR116
|
3.9
|
32.2
|
1.0
|
CB
|
E:ARG113
|
3.9
|
31.1
|
1.0
|
CA
|
E:THR117
|
3.9
|
29.6
|
1.0
|
CA
|
E:VAL118
|
4.0
|
21.4
|
1.0
|
CB
|
E:VAL118
|
4.0
|
20.2
|
1.0
|
C
|
E:THR117
|
4.0
|
26.9
|
1.0
|
CA
|
E:ARG113
|
4.1
|
27.1
|
1.0
|
C
|
E:VAL118
|
4.2
|
24.0
|
1.0
|
O
|
E:ARG113
|
4.4
|
37.4
|
1.0
|
HG23
|
E:VAL118
|
4.4
|
24.8
|
1.0
|
CZ
|
E:ARG113
|
4.5
|
22.2
|
1.0
|
CG2
|
E:THR117
|
4.5
|
28.1
|
1.0
|
HD2
|
E:ARG113
|
4.6
|
32.2
|
1.0
|
CG2
|
E:VAL118
|
4.6
|
21.1
|
1.0
|
HG22
|
E:VAL118
|
4.7
|
24.8
|
1.0
|
HG3
|
E:ARG113
|
4.7
|
37.2
|
1.0
|
NE
|
E:ARG113
|
4.7
|
27.2
|
1.0
|
C
|
E:ARG113
|
4.8
|
36.9
|
1.0
|
CB
|
E:THR117
|
4.8
|
26.4
|
1.0
|
HD3
|
E:PRO122
|
4.8
|
31.3
|
1.0
|
C
|
E:TYR116
|
4.8
|
27.3
|
1.0
|
HB2
|
E:ARG113
|
4.9
|
35.6
|
1.0
|
HA
|
E:VAL118
|
4.9
|
25.5
|
1.0
|
N
|
E:THR117
|
4.9
|
31.3
|
1.0
|
HG23
|
E:THR117
|
4.9
|
32.1
|
1.0
|
|
Sodium binding site 3 out
of 3 in 9lnq
Go back to
Sodium Binding Sites List in 9lnq
Sodium binding site 3 out
of 3 in the The Hung Bound to Dna Product Embedding 4PRIMER-OCH3-Du
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of The Hung Bound to Dna Product Embedding 4PRIMER-OCH3-Du within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Na402
b:30.0
occ:1.00
|
H
|
E:TYR101
|
2.5
|
31.1
|
1.0
|
HD2
|
E:PRO100
|
2.8
|
40.6
|
1.0
|
HD1
|
E:TYR101
|
2.9
|
25.6
|
1.0
|
HB3
|
E:TYR101
|
2.9
|
32.4
|
1.0
|
O
|
E:HOH586
|
3.0
|
33.3
|
1.0
|
HB3
|
E:LYS99
|
3.2
|
26.1
|
1.0
|
N
|
E:TYR101
|
3.3
|
27.2
|
1.0
|
HB2
|
E:PRO100
|
3.4
|
35.7
|
1.0
|
CD
|
E:PRO100
|
3.6
|
36.3
|
1.0
|
CB
|
E:TYR101
|
3.8
|
27.6
|
1.0
|
CD1
|
E:TYR101
|
3.8
|
21.7
|
1.0
|
N
|
E:PRO100
|
3.8
|
29.0
|
1.0
|
HG2
|
E:PRO100
|
4.0
|
39.2
|
1.0
|
CB
|
E:PRO100
|
4.0
|
32.3
|
1.0
|
HE22
|
E:GLN224
|
4.1
|
34.3
|
1.0
|
CG
|
E:PRO100
|
4.1
|
35.6
|
1.0
|
CB
|
E:LYS99
|
4.1
|
23.1
|
1.0
|
CA
|
E:TYR101
|
4.1
|
28.2
|
1.0
|
C
|
E:PRO100
|
4.2
|
27.0
|
1.0
|
CA
|
E:PRO100
|
4.2
|
25.7
|
1.0
|
CG
|
E:TYR101
|
4.3
|
22.1
|
1.0
|
HD3
|
E:LYS99
|
4.3
|
43.9
|
1.0
|
C
|
E:LYS99
|
4.4
|
32.3
|
1.0
|
HD3
|
E:PRO100
|
4.4
|
40.6
|
1.0
|
HB2
|
E:LYS99
|
4.4
|
26.1
|
1.0
|
HB2
|
E:TYR101
|
4.5
|
32.4
|
1.0
|
HA
|
E:TYR101
|
4.6
|
32.8
|
1.0
|
HA
|
E:LYS99
|
4.7
|
28.1
|
1.0
|
CA
|
E:LYS99
|
4.7
|
25.1
|
1.0
|
NE2
|
E:GLN224
|
4.7
|
29.0
|
1.0
|
O
|
E:HOH620
|
4.9
|
33.4
|
1.0
|
CE1
|
E:TYR101
|
4.9
|
25.8
|
1.0
|
HB3
|
E:PRO100
|
4.9
|
35.7
|
1.0
|
H
|
E:PHE102
|
4.9
|
29.1
|
1.0
|
HE1
|
E:TYR101
|
4.9
|
30.9
|
1.0
|
|
Reference:
C.Fan,
X.Zhan,
F.Guo,
Q.Li,
K.Lu,
X.Shan,
Y.Zhou,
M.Ren,
M.M.Greenberg,
Y.Liu,
C.Zhou.
Uridine Embedded Within Dna Is Repaired By Uracil Dna Glycosylase Via A Mechanism Distinct From That of Ribonuclease H2. J.Am.Chem.Soc. V. 147 11574 2025.
ISSN: ESSN 1520-5126
PubMed: 40130361
DOI: 10.1021/JACS.5C01436
Page generated: Mon Aug 18 17:21:58 2025
|