Magnesium in PDB 6xxq: Crystal Structure of Spectinomycin Adenyltransferase Aad(9) From Enterococcus Faecialis with Atp and Spectinomycin
Enzymatic activity of Crystal Structure of Spectinomycin Adenyltransferase Aad(9) From Enterococcus Faecialis with Atp and Spectinomycin
All present enzymatic activity of Crystal Structure of Spectinomycin Adenyltransferase Aad(9) From Enterococcus Faecialis with Atp and Spectinomycin:
2.7.7.47;
Protein crystallography data
The structure of Crystal Structure of Spectinomycin Adenyltransferase Aad(9) From Enterococcus Faecialis with Atp and Spectinomycin, PDB code: 6xxq
was solved by
S.Kanchugal P,
M.Selmer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
55.89 /
3.00
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
133.532,
69.312,
94.517,
90.00,
135.00,
90.00
|
R / Rfree (%)
|
24 /
27.1
|
Other elements in 6xxq:
The structure of Crystal Structure of Spectinomycin Adenyltransferase Aad(9) From Enterococcus Faecialis with Atp and Spectinomycin also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Spectinomycin Adenyltransferase Aad(9) From Enterococcus Faecialis with Atp and Spectinomycin
(pdb code 6xxq). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the
Crystal Structure of Spectinomycin Adenyltransferase Aad(9) From Enterococcus Faecialis with Atp and Spectinomycin, PDB code: 6xxq:
Jump to Magnesium binding site number:
1;
2;
3;
Magnesium binding site 1 out
of 3 in 6xxq
Go back to
Magnesium Binding Sites List in 6xxq
Magnesium binding site 1 out
of 3 in the Crystal Structure of Spectinomycin Adenyltransferase Aad(9) From Enterococcus Faecialis with Atp and Spectinomycin
 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 Spectinomycin Adenyltransferase Aad(9) From Enterococcus Faecialis with Atp and Spectinomycin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg302
b:33.8
occ:1.00
|
OD1
|
A:ASP46
|
2.1
|
39.2
|
1.0
|
O2B
|
A:ATP304
|
2.3
|
37.0
|
1.0
|
O3G
|
A:ATP304
|
2.6
|
34.9
|
1.0
|
OD2
|
A:ASP48
|
2.7
|
37.6
|
1.0
|
O
|
A:ASP46
|
2.9
|
39.9
|
1.0
|
O2A
|
A:ATP304
|
3.1
|
38.3
|
1.0
|
CG
|
A:ASP46
|
3.3
|
38.3
|
1.0
|
CG
|
A:ASP48
|
3.3
|
37.4
|
1.0
|
N
|
A:SER35
|
3.4
|
41.1
|
1.0
|
C
|
A:ASP46
|
3.6
|
37.1
|
1.0
|
OG
|
A:SER45
|
3.6
|
48.6
|
1.0
|
PB
|
A:ATP304
|
3.7
|
35.1
|
1.0
|
OD1
|
A:ASP48
|
3.7
|
38.9
|
1.0
|
CB
|
A:SER35
|
3.8
|
41.8
|
1.0
|
N
|
A:ASP46
|
3.9
|
35.1
|
1.0
|
PG
|
A:ATP304
|
3.9
|
37.9
|
1.0
|
OG
|
A:SER35
|
3.9
|
41.5
|
1.0
|
OD2
|
A:ASP46
|
4.0
|
36.5
|
1.0
|
O3B
|
A:ATP304
|
4.1
|
36.8
|
1.0
|
CA
|
A:ASP46
|
4.1
|
34.9
|
1.0
|
CA
|
A:GLY34
|
4.1
|
33.2
|
1.0
|
CA
|
A:SER35
|
4.2
|
42.3
|
1.0
|
CB
|
A:ASP48
|
4.3
|
33.1
|
1.0
|
C
|
A:GLY34
|
4.3
|
42.4
|
1.0
|
CB
|
A:ASP46
|
4.3
|
34.9
|
1.0
|
PA
|
A:ATP304
|
4.4
|
39.2
|
1.0
|
N
|
A:ASP48
|
4.4
|
35.5
|
1.0
|
O3A
|
A:ATP304
|
4.4
|
35.3
|
1.0
|
O1G
|
A:ATP304
|
4.4
|
40.0
|
1.0
|
N
|
A:LEU47
|
4.5
|
36.7
|
1.0
|
O1B
|
A:ATP304
|
4.8
|
36.5
|
1.0
|
CA
|
A:LEU47
|
4.8
|
36.0
|
1.0
|
O
|
A:PHE33
|
4.9
|
37.6
|
1.0
|
N
|
A:GLY36
|
4.9
|
45.5
|
1.0
|
MG
|
A:MG303
|
4.9
|
35.1
|
1.0
|
C
|
A:LEU47
|
5.0
|
35.5
|
1.0
|
CB
|
A:SER45
|
5.0
|
41.7
|
1.0
|
CA
|
A:ASP48
|
5.0
|
33.8
|
1.0
|
|
Magnesium binding site 2 out
of 3 in 6xxq
Go back to
Magnesium Binding Sites List in 6xxq
Magnesium binding site 2 out
of 3 in the Crystal Structure of Spectinomycin Adenyltransferase Aad(9) From Enterococcus Faecialis with Atp and Spectinomycin
 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 Spectinomycin Adenyltransferase Aad(9) From Enterococcus Faecialis with Atp and Spectinomycin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg303
b:35.1
occ:1.00
|
O1A
|
A:ATP304
|
2.3
|
41.1
|
1.0
|
OD2
|
A:ASP46
|
2.4
|
36.5
|
1.0
|
O2B
|
A:SCM305
|
2.5
|
40.0
|
1.0
|
O2A
|
A:ATP304
|
2.9
|
38.3
|
1.0
|
PA
|
A:ATP304
|
3.1
|
39.2
|
1.0
|
CG
|
A:ASP46
|
3.1
|
38.3
|
1.0
|
C6
|
A:SCM305
|
3.1
|
39.0
|
1.0
|
O11
|
A:SCM305
|
3.2
|
36.3
|
1.0
|
OD1
|
A:ASP46
|
3.5
|
39.2
|
1.0
|
C12
|
A:SCM305
|
3.6
|
38.0
|
1.0
|
O1
|
A:SCM305
|
3.7
|
41.1
|
1.0
|
O3G
|
A:ATP304
|
3.7
|
34.9
|
1.0
|
C11
|
A:SCM305
|
3.8
|
36.0
|
1.0
|
O2G
|
A:ATP304
|
4.1
|
39.9
|
1.0
|
CB
|
A:ASP46
|
4.1
|
34.9
|
1.0
|
O3A
|
A:ATP304
|
4.2
|
35.3
|
1.0
|
NZ
|
A:LYS203
|
4.2
|
37.5
|
1.0
|
O5'
|
A:ATP304
|
4.3
|
38.4
|
1.0
|
OE1
|
A:GLU86
|
4.4
|
41.3
|
1.0
|
C5
|
A:SCM305
|
4.5
|
38.8
|
1.0
|
PG
|
A:ATP304
|
4.5
|
37.9
|
1.0
|
OD1
|
A:ASP48
|
4.7
|
38.9
|
1.0
|
O
|
A:HOH405
|
4.7
|
32.6
|
1.0
|
O5
|
A:SCM305
|
4.7
|
42.1
|
1.0
|
C2
|
A:SCM305
|
4.8
|
38.2
|
1.0
|
C7
|
A:SCM305
|
4.8
|
39.6
|
1.0
|
OD2
|
A:ASP48
|
4.9
|
37.6
|
1.0
|
MG
|
A:MG302
|
4.9
|
33.8
|
1.0
|
O2B
|
A:ATP304
|
4.9
|
37.0
|
1.0
|
|
Magnesium binding site 3 out
of 3 in 6xxq
Go back to
Magnesium Binding Sites List in 6xxq
Magnesium binding site 3 out
of 3 in the Crystal Structure of Spectinomycin Adenyltransferase Aad(9) From Enterococcus Faecialis with Atp and Spectinomycin
 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 Spectinomycin Adenyltransferase Aad(9) From Enterococcus Faecialis with Atp and Spectinomycin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg302
b:33.5
occ:1.00
|
OD1
|
B:ASP46
|
1.9
|
39.0
|
1.0
|
O2B
|
B:ATP303
|
2.1
|
35.6
|
1.0
|
OD2
|
B:ASP48
|
2.2
|
39.0
|
1.0
|
O2G
|
B:ATP303
|
2.3
|
39.2
|
1.0
|
O2A
|
B:ATP303
|
2.6
|
42.5
|
1.0
|
CG
|
B:ASP48
|
3.0
|
36.8
|
1.0
|
CG
|
B:ASP46
|
3.1
|
40.1
|
1.0
|
O
|
B:ASP46
|
3.4
|
35.6
|
1.0
|
N
|
B:SER35
|
3.4
|
45.6
|
1.0
|
PB
|
B:ATP303
|
3.5
|
37.0
|
1.0
|
OD1
|
B:ASP48
|
3.5
|
36.5
|
1.0
|
PG
|
B:ATP303
|
3.7
|
39.9
|
1.0
|
OD2
|
B:ASP46
|
3.7
|
39.3
|
1.0
|
CB
|
B:SER35
|
3.9
|
44.9
|
1.0
|
PA
|
B:ATP303
|
3.9
|
37.2
|
1.0
|
O3B
|
B:ATP303
|
3.9
|
37.1
|
1.0
|
C
|
B:ASP46
|
3.9
|
36.1
|
1.0
|
O3A
|
B:ATP303
|
4.0
|
35.8
|
1.0
|
CB
|
B:ASP48
|
4.0
|
35.3
|
1.0
|
CA
|
B:GLY34
|
4.1
|
39.0
|
1.0
|
N
|
B:ASP46
|
4.1
|
33.9
|
1.0
|
CA
|
B:SER35
|
4.3
|
45.1
|
1.0
|
CB
|
B:ASP46
|
4.3
|
33.8
|
1.0
|
C
|
B:GLY34
|
4.3
|
44.8
|
1.0
|
CA
|
B:ASP46
|
4.3
|
33.4
|
1.0
|
N
|
B:ASP48
|
4.4
|
34.6
|
1.0
|
O3G
|
B:ATP303
|
4.5
|
42.6
|
1.0
|
O1B
|
B:ATP303
|
4.6
|
40.7
|
1.0
|
O1G
|
B:ATP303
|
4.7
|
38.1
|
1.0
|
O1A
|
B:ATP303
|
4.8
|
40.2
|
1.0
|
N
|
B:LEU47
|
4.8
|
35.8
|
1.0
|
CA
|
B:ASP48
|
4.8
|
33.8
|
1.0
|
O5'
|
B:ATP303
|
4.9
|
35.4
|
1.0
|
|
Reference:
S.Kanchugal P,
M.Selmer.
Structural Recognition of Spectinomycin By Resistance Enzyme Ant(9) Fromenterococcus Faecalis. Antimicrob.Agents Chemother. 2020.
ISSN: ESSN 1098-6596
PubMed: 32253216
DOI: 10.1128/AAC.00371-20
Page generated: Tue Oct 1 23:43:02 2024
|