Magnesium in PDB 8wwo: Crystal Structure of the Afsv Topoisomerase Atpase Domain in Complex with Amppnp
Protein crystallography data
The structure of Crystal Structure of the Afsv Topoisomerase Atpase Domain in Complex with Amppnp, PDB code: 8wwo
was solved by
W.Kuang,
Z.Deng,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
24.96 /
2.20
|
Space group
|
P 31
|
Cell size a, b, c (Å), α, β, γ (°)
|
85.658,
85.658,
212.071,
90,
90,
120
|
R / Rfree (%)
|
17.6 /
22.1
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of the Afsv Topoisomerase Atpase Domain in Complex with Amppnp
(pdb code 8wwo). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Crystal Structure of the Afsv Topoisomerase Atpase Domain in Complex with Amppnp, PDB code: 8wwo:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 8wwo
Go back to
Magnesium Binding Sites List in 8wwo
Magnesium binding site 1 out
of 4 in the Crystal Structure of the Afsv Topoisomerase Atpase Domain in Complex with Amppnp
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 Afsv Topoisomerase Atpase Domain in Complex with Amppnp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg502
b:22.0
occ:1.00
|
O2B
|
A:ANP501
|
1.9
|
17.8
|
1.0
|
OD1
|
A:ASN64
|
2.0
|
17.1
|
1.0
|
O3G
|
A:ANP501
|
2.0
|
17.9
|
1.0
|
O2A
|
A:ANP501
|
2.2
|
17.5
|
1.0
|
O
|
A:HOH618
|
2.4
|
16.2
|
1.0
|
O
|
A:HOH737
|
2.4
|
17.5
|
1.0
|
PB
|
A:ANP501
|
3.0
|
20.2
|
1.0
|
CG
|
A:ASN64
|
3.1
|
17.5
|
1.0
|
PA
|
A:ANP501
|
3.3
|
19.2
|
1.0
|
PG
|
A:ANP501
|
3.3
|
18.8
|
1.0
|
O3A
|
A:ANP501
|
3.4
|
19.0
|
1.0
|
ND2
|
A:ASN64
|
3.5
|
16.5
|
1.0
|
N3B
|
A:ANP501
|
3.6
|
18.8
|
1.0
|
O
|
A:HOH650
|
3.7
|
21.0
|
1.0
|
O
|
A:HOH693
|
4.0
|
16.4
|
1.0
|
O5'
|
A:ANP501
|
4.2
|
17.8
|
1.0
|
CA
|
A:GLY142
|
4.2
|
19.8
|
1.0
|
OE1
|
A:GLU60
|
4.3
|
19.6
|
1.0
|
O1G
|
A:ANP501
|
4.3
|
18.1
|
1.0
|
O1B
|
A:ANP501
|
4.3
|
18.4
|
1.0
|
O
|
A:GLU60
|
4.3
|
20.7
|
1.0
|
O2G
|
A:ANP501
|
4.3
|
20.7
|
1.0
|
CB
|
A:ASN64
|
4.4
|
22.0
|
1.0
|
O1A
|
A:ANP501
|
4.5
|
18.9
|
1.0
|
OD2
|
A:ASP67
|
4.6
|
21.7
|
1.0
|
CA
|
A:ASN64
|
4.6
|
20.0
|
1.0
|
CA
|
A:GLY147
|
4.7
|
16.1
|
1.0
|
N
|
A:ASN64
|
4.7
|
19.8
|
1.0
|
N
|
A:GLY147
|
4.8
|
16.9
|
1.0
|
N
|
A:LEU148
|
4.9
|
19.1
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 8wwo
Go back to
Magnesium Binding Sites List in 8wwo
Magnesium binding site 2 out
of 4 in the Crystal Structure of the Afsv Topoisomerase Atpase Domain in Complex with Amppnp
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 Afsv Topoisomerase Atpase Domain in Complex with Amppnp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg502
b:21.9
occ:1.00
|
O2B
|
B:ANP501
|
1.8
|
15.7
|
1.0
|
OD1
|
B:ASN64
|
2.0
|
18.5
|
1.0
|
O3G
|
B:ANP501
|
2.1
|
19.1
|
1.0
|
O2A
|
B:ANP501
|
2.2
|
18.2
|
1.0
|
O
|
B:HOH756
|
2.3
|
17.8
|
1.0
|
O
|
B:HOH622
|
2.4
|
20.6
|
1.0
|
PB
|
B:ANP501
|
3.0
|
17.2
|
1.0
|
CG
|
B:ASN64
|
3.0
|
17.2
|
1.0
|
PG
|
B:ANP501
|
3.3
|
19.8
|
1.0
|
PA
|
B:ANP501
|
3.4
|
17.6
|
1.0
|
O3A
|
B:ANP501
|
3.5
|
17.9
|
1.0
|
ND2
|
B:ASN64
|
3.5
|
17.1
|
1.0
|
O
|
B:HOH632
|
3.6
|
21.5
|
1.0
|
N3B
|
B:ANP501
|
3.6
|
17.4
|
1.0
|
O
|
B:HOH662
|
4.1
|
15.2
|
1.0
|
CA
|
B:GLY142
|
4.2
|
19.3
|
1.0
|
O5'
|
B:ANP501
|
4.2
|
18.2
|
1.0
|
OE1
|
B:GLU60
|
4.3
|
20.5
|
1.0
|
O1B
|
B:ANP501
|
4.3
|
18.1
|
1.0
|
CB
|
B:ASN64
|
4.3
|
19.9
|
1.0
|
O1G
|
B:ANP501
|
4.3
|
21.6
|
1.0
|
O
|
B:GLU60
|
4.4
|
20.3
|
1.0
|
O2G
|
B:ANP501
|
4.4
|
15.6
|
1.0
|
CA
|
B:ASN64
|
4.5
|
19.6
|
1.0
|
OD2
|
B:ASP67
|
4.5
|
22.9
|
1.0
|
O1A
|
B:ANP501
|
4.6
|
18.1
|
1.0
|
N
|
B:ASN64
|
4.6
|
19.8
|
1.0
|
CA
|
B:GLY147
|
4.8
|
17.0
|
1.0
|
N
|
B:GLY147
|
4.9
|
16.7
|
1.0
|
N
|
B:LEU148
|
5.0
|
19.1
|
1.0
|
N
|
B:GLY142
|
5.0
|
20.5
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 8wwo
Go back to
Magnesium Binding Sites List in 8wwo
Magnesium binding site 3 out
of 4 in the Crystal Structure of the Afsv Topoisomerase Atpase Domain in Complex with Amppnp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of the Afsv Topoisomerase Atpase Domain in Complex with Amppnp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg502
b:22.8
occ:1.00
|
O3G
|
C:ANP501
|
2.0
|
19.5
|
1.0
|
O2B
|
C:ANP501
|
2.0
|
20.5
|
1.0
|
O2A
|
C:ANP501
|
2.1
|
20.4
|
1.0
|
OD1
|
C:ASN64
|
2.2
|
18.6
|
1.0
|
O
|
C:HOH646
|
2.2
|
20.1
|
1.0
|
O
|
C:HOH755
|
2.4
|
19.2
|
1.0
|
PB
|
C:ANP501
|
3.0
|
18.3
|
1.0
|
CG
|
C:ASN64
|
3.2
|
17.2
|
1.0
|
PG
|
C:ANP501
|
3.2
|
19.7
|
1.0
|
PA
|
C:ANP501
|
3.3
|
17.6
|
1.0
|
O3A
|
C:ANP501
|
3.4
|
20.4
|
1.0
|
N3B
|
C:ANP501
|
3.5
|
19.2
|
1.0
|
ND2
|
C:ASN64
|
3.6
|
17.9
|
1.0
|
O
|
C:HOH640
|
3.9
|
20.4
|
1.0
|
O
|
C:HOH642
|
3.9
|
19.5
|
1.0
|
O1G
|
C:ANP501
|
4.1
|
22.4
|
1.0
|
O5'
|
C:ANP501
|
4.2
|
20.1
|
1.0
|
CA
|
C:GLY142
|
4.2
|
17.4
|
1.0
|
OE1
|
C:GLU60
|
4.2
|
18.6
|
1.0
|
O1B
|
C:ANP501
|
4.3
|
19.2
|
1.0
|
O2G
|
C:ANP501
|
4.3
|
18.4
|
1.0
|
O
|
C:GLU60
|
4.4
|
18.8
|
1.0
|
O1A
|
C:ANP501
|
4.5
|
19.6
|
1.0
|
CB
|
C:ASN64
|
4.5
|
19.1
|
1.0
|
CA
|
C:GLY147
|
4.7
|
16.4
|
1.0
|
OD2
|
C:ASP67
|
4.7
|
21.0
|
1.0
|
CA
|
C:ASN64
|
4.7
|
20.5
|
1.0
|
N
|
C:GLY147
|
4.8
|
16.0
|
1.0
|
N
|
C:ASN64
|
4.9
|
20.0
|
1.0
|
N
|
C:LEU148
|
4.9
|
18.4
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 8wwo
Go back to
Magnesium Binding Sites List in 8wwo
Magnesium binding site 4 out
of 4 in the Crystal Structure of the Afsv Topoisomerase Atpase Domain in Complex with Amppnp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of the Afsv Topoisomerase Atpase Domain in Complex with Amppnp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg502
b:22.9
occ:1.00
|
O2B
|
D:ANP501
|
2.0
|
20.8
|
1.0
|
O3G
|
D:ANP501
|
2.0
|
20.2
|
1.0
|
O2A
|
D:ANP501
|
2.1
|
20.1
|
1.0
|
O
|
D:HOH723
|
2.1
|
18.4
|
1.0
|
OD1
|
D:ASN64
|
2.1
|
18.7
|
1.0
|
O
|
D:HOH619
|
2.3
|
20.9
|
1.0
|
PB
|
D:ANP501
|
3.0
|
18.6
|
1.0
|
CG
|
D:ASN64
|
3.1
|
17.9
|
1.0
|
PG
|
D:ANP501
|
3.2
|
19.4
|
1.0
|
PA
|
D:ANP501
|
3.3
|
18.6
|
1.0
|
O3A
|
D:ANP501
|
3.4
|
21.4
|
1.0
|
N3B
|
D:ANP501
|
3.5
|
17.8
|
1.0
|
ND2
|
D:ASN64
|
3.6
|
17.4
|
1.0
|
O
|
D:HOH665
|
3.9
|
21.1
|
1.0
|
O
|
D:HOH765
|
4.1
|
14.7
|
1.0
|
O1G
|
D:ANP501
|
4.1
|
21.9
|
1.0
|
O5'
|
D:ANP501
|
4.2
|
21.5
|
1.0
|
CA
|
D:GLY142
|
4.3
|
20.2
|
1.0
|
OE1
|
D:GLU60
|
4.3
|
19.7
|
1.0
|
O
|
D:GLU60
|
4.3
|
20.0
|
1.0
|
O1B
|
D:ANP501
|
4.3
|
20.6
|
1.0
|
O2G
|
D:ANP501
|
4.4
|
17.0
|
1.0
|
CB
|
D:ASN64
|
4.5
|
20.6
|
1.0
|
O1A
|
D:ANP501
|
4.5
|
20.1
|
1.0
|
CA
|
D:GLY147
|
4.6
|
19.4
|
1.0
|
N
|
D:GLY147
|
4.7
|
18.2
|
1.0
|
CA
|
D:ASN64
|
4.7
|
20.7
|
1.0
|
OD2
|
D:ASP67
|
4.8
|
22.5
|
1.0
|
N
|
D:LEU148
|
4.8
|
20.2
|
1.0
|
N
|
D:ASN64
|
4.8
|
20.3
|
1.0
|
|
Reference:
Z.Deng,
W.Kuang,
Z.Deng.
N/A N/A.
Page generated: Sat Oct 5 00:56:20 2024
|