Manganese in PDB 5hrl: The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex.
Protein crystallography data
The structure of The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex., PDB code: 5hrl
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)
|
28.99 /
2.40
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
124.651,
71.348,
86.922,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.8 /
25.7
|
Manganese Binding Sites:
The binding sites of Manganese atom in the The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex.
(pdb code 5hrl). 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: 1NT-Gap(P) DNA2: Dgtp Ternary Complex., PDB code: 5hrl:
Jump to Manganese binding site number:
1;
2;
3;
4;
Manganese binding site 1 out
of 4 in 5hrl
Go back to
Manganese Binding Sites List in 5hrl
Manganese binding site 1 out
of 4 in the The Crystal Structure of Asfvpolx: 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: 1NT-Gap(P) DNA2: Dgtp Ternary Complex. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn202
b:38.6
occ:1.00
|
OD1
|
A:ASP49
|
2.0
|
38.1
|
1.0
|
O
|
A:HOH301
|
2.0
|
36.0
|
1.0
|
O2B
|
A:DGT201
|
2.0
|
27.8
|
1.0
|
O2A
|
A:DGT201
|
2.0
|
35.8
|
1.0
|
O2G
|
A:DGT201
|
2.1
|
33.0
|
1.0
|
OD2
|
A:ASP51
|
2.1
|
44.3
|
1.0
|
CG
|
A:ASP49
|
2.9
|
45.8
|
1.0
|
CG
|
A:ASP51
|
3.1
|
42.5
|
1.0
|
OD2
|
A:ASP49
|
3.1
|
46.8
|
1.0
|
PB
|
A:DGT201
|
3.2
|
32.1
|
1.0
|
PA
|
A:DGT201
|
3.2
|
31.2
|
1.0
|
MN
|
A:MN203
|
3.2
|
53.2
|
0.2
|
PG
|
A:DGT201
|
3.3
|
34.9
|
1.0
|
O3A
|
A:DGT201
|
3.4
|
25.7
|
1.0
|
OD1
|
A:ASP51
|
3.4
|
42.7
|
1.0
|
O3B
|
A:DGT201
|
3.6
|
37.8
|
1.0
|
OG
|
A:SER39
|
3.9
|
40.9
|
1.0
|
O
|
A:HOH304
|
3.9
|
47.9
|
1.0
|
O3G
|
A:DGT201
|
4.1
|
39.1
|
1.0
|
O
|
A:ASP49
|
4.1
|
40.1
|
1.0
|
C5'
|
A:DGT201
|
4.1
|
38.4
|
1.0
|
O
|
A:HOH309
|
4.1
|
46.8
|
1.0
|
O5'
|
A:DGT201
|
4.2
|
39.2
|
1.0
|
CB
|
A:ASP49
|
4.3
|
42.4
|
1.0
|
O1A
|
A:DGT201
|
4.4
|
27.7
|
1.0
|
N
|
A:SER39
|
4.4
|
36.2
|
1.0
|
C
|
A:ASP49
|
4.4
|
40.5
|
1.0
|
O1G
|
A:DGT201
|
4.4
|
38.9
|
1.0
|
O
|
A:HOH310
|
4.5
|
49.6
|
1.0
|
CB
|
A:ASP51
|
4.5
|
43.7
|
1.0
|
OD2
|
A:ASP100
|
4.6
|
71.7
|
1.0
|
N
|
A:ASP49
|
4.6
|
42.0
|
1.0
|
O1B
|
A:DGT201
|
4.6
|
26.6
|
1.0
|
CA
|
A:ASP49
|
4.7
|
41.3
|
1.0
|
CA
|
A:GLY38
|
4.8
|
39.1
|
1.0
|
CB
|
A:SER39
|
4.9
|
35.3
|
1.0
|
|
Manganese binding site 2 out
of 4 in 5hrl
Go back to
Manganese Binding Sites List in 5hrl
Manganese binding site 2 out
of 4 in the The Crystal Structure of Asfvpolx: 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: 1NT-Gap(P) DNA2: Dgtp Ternary Complex. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn203
b:53.2
occ:0.20
|
OD1
|
A:ASP51
|
2.0
|
42.7
|
1.0
|
OD2
|
A:ASP100
|
2.0
|
71.7
|
1.0
|
O2A
|
A:DGT201
|
2.0
|
35.8
|
1.0
|
CG
|
A:ASP51
|
3.0
|
42.5
|
1.0
|
OD1
|
A:ASP49
|
3.1
|
38.1
|
1.0
|
PA
|
A:DGT201
|
3.1
|
31.2
|
1.0
|
O
|
A:HOH310
|
3.2
|
49.6
|
1.0
|
CG
|
A:ASP100
|
3.2
|
59.7
|
1.0
|
MN
|
A:MN202
|
3.2
|
38.6
|
1.0
|
OD2
|
A:ASP51
|
3.2
|
44.3
|
1.0
|
O5'
|
A:DGT201
|
3.5
|
39.2
|
1.0
|
C5'
|
A:DGT201
|
3.5
|
38.4
|
1.0
|
CG
|
A:ASP49
|
3.5
|
45.8
|
1.0
|
OD2
|
A:ASP49
|
3.6
|
46.8
|
1.0
|
CB
|
A:ASP100
|
3.9
|
55.3
|
1.0
|
O1A
|
A:DGT201
|
3.9
|
27.7
|
1.0
|
C5'
|
D:DA9
|
4.2
|
43.8
|
1.0
|
OD1
|
A:ASP100
|
4.2
|
62.2
|
1.0
|
CB
|
A:ASP51
|
4.3
|
43.7
|
1.0
|
C4'
|
D:DA9
|
4.4
|
43.9
|
1.0
|
CZ
|
A:PHE102
|
4.5
|
48.1
|
1.0
|
O5'
|
D:DA9
|
4.5
|
47.0
|
1.0
|
O3A
|
A:DGT201
|
4.5
|
25.7
|
1.0
|
O2G
|
A:DGT201
|
4.5
|
33.0
|
1.0
|
O2B
|
A:DGT201
|
4.6
|
27.8
|
1.0
|
O
|
A:HOH304
|
4.6
|
47.9
|
1.0
|
CB
|
A:ASP49
|
4.7
|
42.4
|
1.0
|
C3'
|
D:DA9
|
4.7
|
44.9
|
1.0
|
CE1
|
A:PHE102
|
4.8
|
47.7
|
1.0
|
C4'
|
A:DGT201
|
5.0
|
39.9
|
1.0
|
|
Manganese binding site 3 out
of 4 in 5hrl
Go back to
Manganese Binding Sites List in 5hrl
Manganese binding site 3 out
of 4 in the The Crystal Structure of Asfvpolx: 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: 1NT-Gap(P) DNA2: Dgtp Ternary Complex. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn202
b:41.4
occ:1.00
|
OD1
|
B:ASP49
|
2.0
|
37.4
|
1.0
|
O1B
|
B:DGT201
|
2.0
|
28.4
|
1.0
|
O1A
|
B:DGT201
|
2.0
|
41.1
|
1.0
|
O
|
B:HOH305
|
2.0
|
39.2
|
1.0
|
O1G
|
B:DGT201
|
2.1
|
38.7
|
1.0
|
OD2
|
B:ASP51
|
2.1
|
39.2
|
1.0
|
CG
|
B:ASP49
|
2.9
|
49.2
|
1.0
|
CG
|
B:ASP51
|
3.1
|
37.1
|
1.0
|
PB
|
B:DGT201
|
3.1
|
34.1
|
1.0
|
OD2
|
B:ASP49
|
3.1
|
49.5
|
1.0
|
MN
|
B:MN203
|
3.2
|
54.6
|
0.2
|
PA
|
B:DGT201
|
3.3
|
37.9
|
1.0
|
PG
|
B:DGT201
|
3.3
|
37.7
|
1.0
|
OD1
|
B:ASP51
|
3.4
|
39.6
|
1.0
|
O3A
|
B:DGT201
|
3.5
|
32.5
|
1.0
|
O3B
|
B:DGT201
|
3.6
|
41.6
|
1.0
|
O2G
|
B:DGT201
|
3.9
|
40.5
|
1.0
|
OG
|
B:SER39
|
3.9
|
37.9
|
1.0
|
O
|
B:ASP49
|
4.1
|
40.3
|
1.0
|
O
|
B:HOH307
|
4.1
|
45.6
|
1.0
|
C5'
|
B:DGT201
|
4.1
|
38.6
|
1.0
|
CB
|
B:ASP49
|
4.3
|
44.3
|
1.0
|
O5'
|
B:DGT201
|
4.3
|
40.3
|
1.0
|
O2A
|
B:DGT201
|
4.4
|
39.3
|
1.0
|
C
|
B:ASP49
|
4.4
|
40.9
|
1.0
|
N
|
B:SER39
|
4.4
|
37.8
|
1.0
|
CB
|
B:ASP51
|
4.4
|
38.2
|
1.0
|
O3G
|
B:DGT201
|
4.5
|
44.7
|
1.0
|
N
|
B:ASP49
|
4.6
|
41.4
|
1.0
|
O2B
|
B:DGT201
|
4.6
|
29.5
|
1.0
|
OD2
|
B:ASP100
|
4.6
|
61.0
|
1.0
|
CA
|
B:ASP49
|
4.7
|
41.4
|
1.0
|
CB
|
B:SER39
|
4.9
|
34.1
|
1.0
|
CA
|
B:GLY38
|
4.9
|
43.3
|
1.0
|
|
Manganese binding site 4 out
of 4 in 5hrl
Go back to
Manganese Binding Sites List in 5hrl
Manganese binding site 4 out
of 4 in the The Crystal Structure of Asfvpolx: 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: 1NT-Gap(P) DNA2: Dgtp Ternary Complex. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn203
b:54.6
occ:0.20
|
O1A
|
B:DGT201
|
2.0
|
41.1
|
1.0
|
OD1
|
B:ASP51
|
2.0
|
39.6
|
1.0
|
OD2
|
B:ASP100
|
2.1
|
61.0
|
1.0
|
CG
|
B:ASP51
|
3.0
|
37.1
|
1.0
|
PA
|
B:DGT201
|
3.0
|
37.9
|
1.0
|
OD1
|
B:ASP49
|
3.0
|
37.4
|
1.0
|
MN
|
B:MN202
|
3.2
|
41.4
|
1.0
|
OD2
|
B:ASP51
|
3.2
|
39.2
|
1.0
|
CG
|
B:ASP100
|
3.3
|
51.0
|
1.0
|
O5'
|
B:DGT201
|
3.4
|
40.3
|
1.0
|
CG
|
B:ASP49
|
3.5
|
49.2
|
1.0
|
C5'
|
B:DGT201
|
3.5
|
38.6
|
1.0
|
OD2
|
B:ASP49
|
3.6
|
49.5
|
1.0
|
O2A
|
B:DGT201
|
3.7
|
39.3
|
1.0
|
CB
|
B:ASP100
|
3.9
|
45.6
|
1.0
|
C5'
|
G:DA9
|
4.1
|
49.5
|
1.0
|
OD1
|
B:ASP100
|
4.3
|
54.1
|
1.0
|
C4'
|
G:DA9
|
4.3
|
44.8
|
1.0
|
CB
|
B:ASP51
|
4.3
|
38.2
|
1.0
|
O3A
|
B:DGT201
|
4.4
|
32.5
|
1.0
|
O1G
|
B:DGT201
|
4.4
|
38.7
|
1.0
|
O5'
|
G:DA9
|
4.4
|
49.9
|
1.0
|
C3'
|
G:DA9
|
4.5
|
43.0
|
1.0
|
O1B
|
B:DGT201
|
4.5
|
28.4
|
1.0
|
CZ
|
B:PHE102
|
4.5
|
36.1
|
1.0
|
CB
|
B:ASP49
|
4.7
|
44.3
|
1.0
|
CE1
|
B:PHE102
|
4.8
|
36.1
|
1.0
|
O
|
B:HOH305
|
5.0
|
39.2
|
1.0
|
C4'
|
B:DGT201
|
5.0
|
40.6
|
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 00:33:35 2024
|