Magnesium in PDB 5e41: Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with 5-(N-(10- Hydroxydecanoyl)-Aminopentenyl)-2'-Deoxyuridine-Triphosphate
Enzymatic activity of Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with 5-(N-(10- Hydroxydecanoyl)-Aminopentenyl)-2'-Deoxyuridine-Triphosphate
All present enzymatic activity of Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with 5-(N-(10- Hydroxydecanoyl)-Aminopentenyl)-2'-Deoxyuridine-Triphosphate:
2.7.7.7;
Protein crystallography data
The structure of Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with 5-(N-(10- Hydroxydecanoyl)-Aminopentenyl)-2'-Deoxyuridine-Triphosphate, PDB code: 5e41
was solved by
A.Hottin,
K.Betz,
A.Marx,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
46.67 /
1.80
|
Space group
|
P 31 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
107.774,
107.774,
89.614,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
19.2 /
23.6
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with 5-(N-(10- Hydroxydecanoyl)-Aminopentenyl)-2'-Deoxyuridine-Triphosphate
(pdb code 5e41). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the
Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with 5-(N-(10- Hydroxydecanoyl)-Aminopentenyl)-2'-Deoxyuridine-Triphosphate, PDB code: 5e41:
Jump to Magnesium binding site number:
1;
2;
Magnesium binding site 1 out
of 2 in 5e41
Go back to
Magnesium Binding Sites List in 5e41
Magnesium binding site 1 out
of 2 in the Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with 5-(N-(10- Hydroxydecanoyl)-Aminopentenyl)-2'-Deoxyuridine-Triphosphate
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with 5-(N-(10- Hydroxydecanoyl)-Aminopentenyl)-2'-Deoxyuridine-Triphosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg901
b:38.6
occ:1.00
|
OD1
|
A:ASP785
|
2.2
|
40.6
|
1.0
|
OD2
|
A:ASP610
|
2.4
|
39.0
|
1.0
|
O2A
|
A:AUL903
|
2.4
|
34.3
|
1.0
|
O
|
A:HOH1108
|
2.5
|
34.0
|
1.0
|
O
|
A:HOH1054
|
2.6
|
43.5
|
1.0
|
H3'2
|
B:DOC112
|
2.7
|
49.2
|
1.0
|
CG
|
A:ASP610
|
3.1
|
41.0
|
1.0
|
CG
|
A:ASP785
|
3.1
|
39.7
|
1.0
|
OD1
|
A:ASP610
|
3.2
|
40.3
|
1.0
|
PA
|
A:AUL903
|
3.4
|
34.7
|
1.0
|
OD2
|
A:ASP785
|
3.4
|
46.6
|
1.0
|
MG
|
A:MG902
|
3.4
|
35.3
|
1.0
|
HB2
|
A:GLU786
|
3.5
|
46.9
|
1.0
|
H3'1
|
B:DOC112
|
3.5
|
49.2
|
1.0
|
C3'
|
B:DOC112
|
3.5
|
41.0
|
1.0
|
O
|
A:HOH1191
|
3.6
|
44.9
|
1.0
|
O1A
|
A:AUL903
|
3.7
|
37.8
|
1.0
|
HZ1
|
A:LYS831
|
3.8
|
90.3
|
1.0
|
H5'
|
B:DOC112
|
3.8
|
48.0
|
1.0
|
O5'
|
A:AUL903
|
3.9
|
36.4
|
1.0
|
H36
|
A:AUL903
|
3.9
|
47.4
|
1.0
|
H4'
|
B:DOC112
|
4.2
|
48.7
|
1.0
|
HB3
|
A:GLU786
|
4.2
|
46.9
|
1.0
|
C4'
|
B:DOC112
|
4.2
|
40.6
|
1.0
|
H
|
A:ASP785
|
4.2
|
39.4
|
1.0
|
CB
|
A:GLU786
|
4.3
|
39.0
|
1.0
|
C5'
|
A:AUL903
|
4.3
|
39.5
|
1.0
|
H35
|
A:AUL903
|
4.3
|
47.4
|
1.0
|
C5'
|
B:DOC112
|
4.4
|
40.0
|
1.0
|
NZ
|
A:LYS831
|
4.4
|
75.2
|
1.0
|
OE1
|
A:GLU786
|
4.4
|
39.6
|
1.0
|
O1G
|
A:AUL903
|
4.5
|
33.2
|
1.0
|
HZ2
|
A:LYS831
|
4.5
|
90.3
|
1.0
|
CB
|
A:ASP610
|
4.5
|
39.5
|
1.0
|
CB
|
A:ASP785
|
4.5
|
34.1
|
1.0
|
HZ3
|
A:LYS831
|
4.5
|
90.3
|
1.0
|
O
|
A:VAL783
|
4.5
|
32.3
|
1.0
|
C
|
A:ASP785
|
4.6
|
37.2
|
1.0
|
HB2
|
A:ASP610
|
4.6
|
47.4
|
1.0
|
HZ1
|
A:LYS663
|
4.7
|
56.8
|
1.0
|
O
|
A:ASP785
|
4.7
|
37.5
|
1.0
|
C2'
|
B:DOC112
|
4.8
|
43.4
|
1.0
|
O3A
|
A:AUL903
|
4.8
|
36.7
|
1.0
|
N
|
A:GLU786
|
4.8
|
36.4
|
1.0
|
H2''
|
B:DOC112
|
4.8
|
52.1
|
1.0
|
HA
|
A:ASP610
|
4.8
|
42.0
|
1.0
|
HB3
|
A:ASP785
|
4.9
|
40.9
|
1.0
|
O5'
|
B:DOC112
|
4.9
|
36.9
|
1.0
|
CA
|
A:ASP785
|
4.9
|
34.2
|
1.0
|
N
|
A:ASP785
|
4.9
|
32.9
|
1.0
|
O1B
|
A:AUL903
|
4.9
|
42.5
|
1.0
|
|
Magnesium binding site 2 out
of 2 in 5e41
Go back to
Magnesium Binding Sites List in 5e41
Magnesium binding site 2 out
of 2 in the Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with 5-(N-(10- Hydroxydecanoyl)-Aminopentenyl)-2'-Deoxyuridine-Triphosphate
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of the Large Fragment of Dna Polymerase I From Thermus Aquaticus in A Closed Ternary Complex with 5-(N-(10- Hydroxydecanoyl)-Aminopentenyl)-2'-Deoxyuridine-Triphosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg902
b:35.3
occ:1.00
|
OD2
|
A:ASP785
|
2.0
|
46.6
|
1.0
|
O2A
|
A:AUL903
|
2.0
|
34.3
|
1.0
|
O1B
|
A:AUL903
|
2.0
|
42.5
|
1.0
|
O1G
|
A:AUL903
|
2.1
|
33.2
|
1.0
|
OD1
|
A:ASP610
|
2.1
|
40.3
|
1.0
|
O
|
A:TYR611
|
2.2
|
37.8
|
1.0
|
CG
|
A:ASP785
|
3.1
|
39.7
|
1.0
|
PB
|
A:AUL903
|
3.2
|
39.2
|
1.0
|
H35
|
A:AUL903
|
3.2
|
47.4
|
1.0
|
CG
|
A:ASP610
|
3.3
|
41.0
|
1.0
|
PA
|
A:AUL903
|
3.3
|
34.7
|
1.0
|
C
|
A:TYR611
|
3.4
|
40.9
|
1.0
|
PG
|
A:AUL903
|
3.4
|
40.3
|
1.0
|
MG
|
A:MG901
|
3.4
|
38.6
|
1.0
|
OD1
|
A:ASP785
|
3.5
|
40.6
|
1.0
|
O3A
|
A:AUL903
|
3.6
|
36.7
|
1.0
|
O3B
|
A:AUL903
|
3.7
|
38.2
|
1.0
|
HG22
|
A:ILE614
|
3.7
|
44.8
|
1.0
|
O
|
A:HOH1115
|
3.8
|
35.8
|
1.0
|
OD2
|
A:ASP610
|
3.8
|
39.0
|
1.0
|
HA
|
A:SER612
|
4.0
|
56.5
|
1.0
|
H
|
A:GLN613
|
4.0
|
50.5
|
1.0
|
C5'
|
A:AUL903
|
4.0
|
39.5
|
1.0
|
H
|
A:ILE614
|
4.0
|
39.8
|
1.0
|
N
|
A:TYR611
|
4.1
|
38.6
|
1.0
|
HB2
|
A:TYR611
|
4.1
|
46.1
|
1.0
|
O5'
|
A:AUL903
|
4.1
|
36.4
|
1.0
|
O
|
A:HOH1191
|
4.1
|
44.9
|
1.0
|
H
|
A:TYR611
|
4.2
|
46.4
|
1.0
|
CA
|
A:TYR611
|
4.2
|
38.4
|
1.0
|
H36
|
A:AUL903
|
4.2
|
47.4
|
1.0
|
O3G
|
A:AUL903
|
4.2
|
41.5
|
1.0
|
HB2
|
A:ASP785
|
4.3
|
40.9
|
1.0
|
CB
|
A:ASP785
|
4.3
|
34.1
|
1.0
|
N
|
A:SER612
|
4.3
|
44.8
|
1.0
|
C
|
A:ASP610
|
4.4
|
37.6
|
1.0
|
N
|
A:GLN613
|
4.4
|
42.1
|
1.0
|
HB
|
A:ILE614
|
4.5
|
43.1
|
1.0
|
O1A
|
A:AUL903
|
4.5
|
37.8
|
1.0
|
O2G
|
A:AUL903
|
4.5
|
37.0
|
1.0
|
H32
|
A:AUL903
|
4.5
|
43.6
|
1.0
|
HG21
|
A:ILE614
|
4.5
|
44.8
|
1.0
|
CG2
|
A:ILE614
|
4.5
|
37.3
|
1.0
|
CA
|
A:SER612
|
4.5
|
47.1
|
1.0
|
O2B
|
A:AUL903
|
4.5
|
38.5
|
1.0
|
CB
|
A:ASP610
|
4.5
|
39.5
|
1.0
|
CB
|
A:TYR611
|
4.6
|
38.5
|
1.0
|
HB3
|
A:TYR611
|
4.7
|
46.1
|
1.0
|
HB3
|
A:ASP610
|
4.7
|
47.4
|
1.0
|
C
|
A:SER612
|
4.7
|
44.5
|
1.0
|
HB3
|
A:ASP785
|
4.7
|
40.9
|
1.0
|
O
|
A:ASP785
|
4.8
|
37.5
|
1.0
|
N
|
A:ILE614
|
4.8
|
33.1
|
1.0
|
O
|
A:ASP610
|
4.8
|
38.5
|
1.0
|
HA
|
A:ASP610
|
4.8
|
42.0
|
1.0
|
HZ1
|
A:LYS663
|
4.8
|
56.8
|
1.0
|
CA
|
A:ASP610
|
4.9
|
35.0
|
1.0
|
CB
|
A:ILE614
|
5.0
|
35.9
|
1.0
|
|
Reference:
A.Hottin,
K.Betz,
K.Diederichs,
A.Marx.
Structural Basis For the Klentaq Dna Polymerase Catalysed Incorporation of Alkene- Versus Alkyne-Modified Nucleotides. Chemistry V. 23 2109 2017.
ISSN: ISSN 1521-3765
PubMed: 27901305
DOI: 10.1002/CHEM.201604515
Page generated: Sun Sep 29 03:29:30 2024
|