Manganese in PDB 5hrh: The Crystal Structure of Asfvpolx(H115F/R127A Mutant): 1NT-Gap(P) DNA2:Dgtp Ternary Complex
Protein crystallography data
The structure of The Crystal Structure of Asfvpolx(H115F/R127A Mutant): 1NT-Gap(P) DNA2:Dgtp Ternary Complex, PDB code: 5hrh
was solved by
Y.Q.Chen,
J.Zhang,
J.H.Gan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.99 /
3.00
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
125.500,
70.030,
86.010,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
23.2 /
27.3
|
Manganese Binding Sites:
The binding sites of Manganese atom in the The Crystal Structure of Asfvpolx(H115F/R127A Mutant): 1NT-Gap(P) DNA2:Dgtp Ternary Complex
(pdb code 5hrh). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the
The Crystal Structure of Asfvpolx(H115F/R127A Mutant): 1NT-Gap(P) DNA2:Dgtp Ternary Complex, PDB code: 5hrh:
Jump to Manganese binding site number:
1;
2;
3;
4;
Manganese binding site 1 out
of 4 in 5hrh
Go back to
Manganese Binding Sites List in 5hrh
Manganese binding site 1 out
of 4 in the The Crystal Structure of Asfvpolx(H115F/R127A Mutant): 1NT-Gap(P) DNA2:Dgtp Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of The Crystal Structure of Asfvpolx(H115F/R127A Mutant): 1NT-Gap(P) DNA2:Dgtp Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn202
b:66.0
occ:1.00
|
O3G
|
A:DGT201
|
1.9
|
80.6
|
1.0
|
OD1
|
A:ASP49
|
2.0
|
87.2
|
1.0
|
O
|
A:HOH301
|
2.1
|
60.0
|
1.0
|
O1B
|
A:DGT201
|
2.2
|
95.5
|
1.0
|
OD2
|
A:ASP51
|
2.4
|
59.5
|
1.0
|
O1A
|
A:DGT201
|
2.5
|
71.6
|
1.0
|
CG
|
A:ASP51
|
3.1
|
65.2
|
1.0
|
CG
|
A:ASP49
|
3.2
|
80.4
|
1.0
|
PG
|
A:DGT201
|
3.2
|
78.4
|
1.0
|
PB
|
A:DGT201
|
3.3
|
76.0
|
1.0
|
PA
|
A:DGT201
|
3.4
|
73.5
|
1.0
|
O
|
A:ASP49
|
3.5
|
82.1
|
1.0
|
O3A
|
A:DGT201
|
3.5
|
82.2
|
1.0
|
OD1
|
A:ASP51
|
3.5
|
73.1
|
1.0
|
O3B
|
A:DGT201
|
3.7
|
71.7
|
1.0
|
OD2
|
A:ASP49
|
3.7
|
55.0
|
1.0
|
OG
|
A:SER39
|
3.7
|
82.9
|
1.0
|
O5'
|
A:DGT201
|
3.8
|
56.1
|
1.0
|
O2G
|
A:DGT201
|
3.9
|
93.3
|
1.0
|
MN
|
A:MN203
|
3.9
|
71.0
|
1.0
|
C
|
A:ASP49
|
4.0
|
88.1
|
1.0
|
N
|
A:SER39
|
4.2
|
56.0
|
1.0
|
CB
|
A:ASP51
|
4.2
|
64.4
|
1.0
|
O1G
|
A:DGT201
|
4.4
|
73.0
|
1.0
|
N
|
A:ASP49
|
4.4
|
89.8
|
1.0
|
CB
|
A:ASP49
|
4.4
|
93.8
|
1.0
|
CA
|
A:ASP49
|
4.5
|
92.8
|
1.0
|
N
|
A:ASP51
|
4.5
|
66.8
|
1.0
|
CA
|
A:GLY38
|
4.6
|
55.7
|
1.0
|
O2B
|
A:DGT201
|
4.7
|
46.0
|
1.0
|
CB
|
A:SER39
|
4.7
|
67.8
|
1.0
|
O
|
A:HOH302
|
4.8
|
68.6
|
1.0
|
N
|
A:VAL50
|
4.8
|
82.5
|
1.0
|
C
|
A:VAL50
|
4.8
|
77.7
|
1.0
|
O2A
|
A:DGT201
|
4.8
|
54.2
|
1.0
|
C5'
|
A:DGT201
|
4.9
|
62.7
|
1.0
|
C
|
A:GLY38
|
5.0
|
61.6
|
1.0
|
CA
|
A:VAL50
|
5.0
|
76.3
|
1.0
|
CA
|
A:ASP51
|
5.0
|
64.8
|
1.0
|
|
Manganese binding site 2 out
of 4 in 5hrh
Go back to
Manganese Binding Sites List in 5hrh
Manganese binding site 2 out
of 4 in the The Crystal Structure of Asfvpolx(H115F/R127A Mutant): 1NT-Gap(P) DNA2:Dgtp Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of The Crystal Structure of Asfvpolx(H115F/R127A Mutant): 1NT-Gap(P) DNA2:Dgtp Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn203
b:71.0
occ:1.00
|
O
|
A:HOH302
|
2.1
|
68.6
|
1.0
|
OD2
|
A:ASP100
|
2.3
|
76.2
|
1.0
|
OD2
|
A:ASP49
|
2.4
|
55.0
|
1.0
|
OD1
|
A:ASP51
|
2.4
|
73.1
|
1.0
|
O1A
|
A:DGT201
|
2.4
|
71.6
|
1.0
|
CG
|
A:ASP51
|
3.1
|
65.2
|
1.0
|
OD2
|
A:ASP51
|
3.2
|
59.5
|
1.0
|
CG
|
A:ASP100
|
3.3
|
70.7
|
1.0
|
CG
|
A:ASP49
|
3.3
|
80.4
|
1.0
|
PA
|
A:DGT201
|
3.4
|
73.5
|
1.0
|
OD1
|
A:ASP49
|
3.6
|
87.2
|
1.0
|
CB
|
A:ASP100
|
3.7
|
61.3
|
1.0
|
C5'
|
A:DGT201
|
3.8
|
62.7
|
1.0
|
O5'
|
A:DGT201
|
3.8
|
56.1
|
1.0
|
O2A
|
A:DGT201
|
3.8
|
54.2
|
1.0
|
MN
|
A:MN202
|
3.9
|
66.0
|
1.0
|
C3'
|
D:DA9
|
4.3
|
0.9
|
1.0
|
OD1
|
A:ASP100
|
4.4
|
74.9
|
1.0
|
CB
|
A:ASP51
|
4.5
|
64.4
|
1.0
|
OP1
|
D:DA9
|
4.6
|
1.0
|
1.0
|
NE2
|
A:GLN98
|
4.7
|
78.6
|
1.0
|
CB
|
A:ASP49
|
4.7
|
93.8
|
1.0
|
O3G
|
A:DGT201
|
4.7
|
80.6
|
1.0
|
O3A
|
A:DGT201
|
4.8
|
82.2
|
1.0
|
CZ
|
A:PHE102
|
4.9
|
84.5
|
1.0
|
CE1
|
A:PHE102
|
4.9
|
76.2
|
1.0
|
C4'
|
D:DA9
|
4.9
|
0.9
|
1.0
|
|
Manganese binding site 3 out
of 4 in 5hrh
Go back to
Manganese Binding Sites List in 5hrh
Manganese binding site 3 out
of 4 in the The Crystal Structure of Asfvpolx(H115F/R127A Mutant): 1NT-Gap(P) DNA2:Dgtp Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of The Crystal Structure of Asfvpolx(H115F/R127A Mutant): 1NT-Gap(P) DNA2:Dgtp Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn202
b:73.0
occ:1.00
|
OD1
|
B:ASP49
|
2.0
|
89.4
|
1.0
|
O3G
|
B:DGT201
|
2.2
|
75.2
|
1.0
|
O1B
|
B:DGT201
|
2.2
|
86.2
|
1.0
|
OD2
|
B:ASP51
|
2.3
|
76.6
|
1.0
|
O1A
|
B:DGT201
|
2.5
|
85.1
|
1.0
|
CG
|
B:ASP51
|
3.0
|
67.8
|
1.0
|
CG
|
B:ASP49
|
3.2
|
80.0
|
1.0
|
OD1
|
B:ASP51
|
3.3
|
63.5
|
1.0
|
PB
|
B:DGT201
|
3.3
|
76.6
|
1.0
|
PA
|
B:DGT201
|
3.4
|
71.6
|
1.0
|
PG
|
B:DGT201
|
3.5
|
70.2
|
1.0
|
O
|
B:ASP49
|
3.5
|
77.1
|
1.0
|
O3A
|
B:DGT201
|
3.5
|
76.3
|
1.0
|
OG
|
B:SER39
|
3.6
|
73.4
|
1.0
|
OD2
|
B:ASP49
|
3.7
|
70.2
|
1.0
|
O5'
|
B:DGT201
|
3.7
|
47.7
|
1.0
|
O3B
|
B:DGT201
|
3.8
|
71.4
|
1.0
|
MN
|
B:MN203
|
4.0
|
68.1
|
1.0
|
N
|
B:SER39
|
4.0
|
50.0
|
1.0
|
C
|
B:ASP49
|
4.0
|
72.3
|
1.0
|
O2G
|
B:DGT201
|
4.2
|
73.3
|
1.0
|
CB
|
B:ASP51
|
4.2
|
56.5
|
1.0
|
CB
|
B:ASP49
|
4.4
|
74.8
|
1.0
|
N
|
B:ASP49
|
4.4
|
70.9
|
1.0
|
CA
|
B:GLY38
|
4.4
|
55.5
|
1.0
|
CA
|
B:ASP49
|
4.5
|
70.8
|
1.0
|
N
|
B:ASP51
|
4.5
|
56.4
|
1.0
|
CB
|
B:SER39
|
4.5
|
63.9
|
1.0
|
O1G
|
B:DGT201
|
4.6
|
49.9
|
1.0
|
O2B
|
B:DGT201
|
4.6
|
68.3
|
1.0
|
N
|
B:VAL50
|
4.7
|
64.8
|
1.0
|
C
|
B:VAL50
|
4.7
|
65.6
|
1.0
|
C
|
B:GLY38
|
4.8
|
61.1
|
1.0
|
O2A
|
B:DGT201
|
4.8
|
44.9
|
1.0
|
C5'
|
B:DGT201
|
4.8
|
55.7
|
1.0
|
CA
|
B:SER39
|
4.9
|
54.7
|
1.0
|
CA
|
B:VAL50
|
4.9
|
65.5
|
1.0
|
CA
|
B:ASP51
|
4.9
|
52.9
|
1.0
|
|
Manganese binding site 4 out
of 4 in 5hrh
Go back to
Manganese Binding Sites List in 5hrh
Manganese binding site 4 out
of 4 in the The Crystal Structure of Asfvpolx(H115F/R127A Mutant): 1NT-Gap(P) DNA2:Dgtp Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of The Crystal Structure of Asfvpolx(H115F/R127A Mutant): 1NT-Gap(P) DNA2:Dgtp Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn203
b:68.1
occ:1.00
|
OD2
|
B:ASP100
|
1.9
|
82.6
|
1.0
|
OD2
|
B:ASP49
|
2.1
|
70.2
|
1.0
|
O1A
|
B:DGT201
|
2.3
|
85.1
|
1.0
|
OD1
|
B:ASP51
|
2.4
|
63.5
|
1.0
|
CG
|
B:ASP100
|
3.0
|
83.2
|
1.0
|
CG
|
B:ASP49
|
3.1
|
80.0
|
1.0
|
CG
|
B:ASP51
|
3.3
|
67.8
|
1.0
|
PA
|
B:DGT201
|
3.4
|
71.6
|
1.0
|
OD1
|
B:ASP49
|
3.5
|
89.4
|
1.0
|
OD2
|
B:ASP51
|
3.5
|
76.6
|
1.0
|
CB
|
B:ASP100
|
3.6
|
44.4
|
1.0
|
O2A
|
B:DGT201
|
3.7
|
44.9
|
1.0
|
OP1
|
G:DA9
|
3.7
|
0.3
|
1.0
|
OD1
|
B:ASP100
|
3.9
|
73.6
|
1.0
|
O5'
|
B:DGT201
|
4.0
|
47.7
|
1.0
|
MN
|
B:MN202
|
4.0
|
73.0
|
1.0
|
C5'
|
B:DGT201
|
4.0
|
55.7
|
1.0
|
NE2
|
B:GLN98
|
4.2
|
70.6
|
1.0
|
CB
|
B:ASP49
|
4.5
|
74.8
|
1.0
|
CB
|
B:ASP51
|
4.7
|
56.5
|
1.0
|
O3G
|
B:DGT201
|
4.8
|
75.2
|
1.0
|
O3A
|
B:DGT201
|
4.8
|
76.3
|
1.0
|
CA
|
B:ASP100
|
5.0
|
44.6
|
1.0
|
|
Reference:
Y.Q.Chen,
J.Zhang,
J.H.Gan.
The Crystal Structure of Se-Asfvpolx(L52/163M Mutant) in Complex with 1NT-Gap DNA1 To Be Published.
Page generated: Sun Oct 6 00:32:35 2024
|