Magnesium in PDB 2io8: E. Coli Bifunctional Glutathionylspermidine Synthetase/Amidase Incomplex with MG2+ and Adp
Enzymatic activity of E. Coli Bifunctional Glutathionylspermidine Synthetase/Amidase Incomplex with MG2+ and Adp
All present enzymatic activity of E. Coli Bifunctional Glutathionylspermidine Synthetase/Amidase Incomplex with MG2+ and Adp:
3.5.1.78;
6.3.1.8;
Protein crystallography data
The structure of E. Coli Bifunctional Glutathionylspermidine Synthetase/Amidase Incomplex with MG2+ and Adp, PDB code: 2io8
was solved by
C.H.Pai,
B.Y.Chiang,
T.P.Ko,
C.C.Chou,
C.M.Chong,
F.J.Yen,
J.K.Coward,
A.H.-J.Wang,
C.H.Lin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.10
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
60.200,
75.610,
84.440,
70.17,
73.92,
77.77
|
R / Rfree (%)
|
17.3 /
23.6
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the E. Coli Bifunctional Glutathionylspermidine Synthetase/Amidase Incomplex with MG2+ and Adp
(pdb code 2io8). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
E. Coli Bifunctional Glutathionylspermidine Synthetase/Amidase Incomplex with MG2+ and Adp, PDB code: 2io8:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 2io8
Go back to
Magnesium Binding Sites List in 2io8
Magnesium binding site 1 out
of 4 in the E. Coli Bifunctional Glutathionylspermidine Synthetase/Amidase Incomplex with MG2+ and Adp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of E. Coli Bifunctional Glutathionylspermidine Synthetase/Amidase Incomplex with MG2+ and Adp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg7001
b:16.3
occ:1.00
|
O
|
A:HOH4001
|
1.9
|
9.8
|
1.0
|
O
|
A:HOH4002
|
1.9
|
15.0
|
1.0
|
O2B
|
A:ADP5001
|
2.0
|
16.3
|
1.0
|
OE1
|
A:GLU330
|
2.0
|
13.0
|
1.0
|
OD1
|
A:ASN332
|
2.1
|
15.3
|
1.0
|
OE2
|
A:GLU330
|
2.2
|
17.6
|
1.0
|
CD
|
A:GLU330
|
2.4
|
13.8
|
1.0
|
CG
|
A:ASN332
|
3.2
|
16.6
|
1.0
|
PB
|
A:ADP5001
|
3.2
|
15.2
|
1.0
|
O3B
|
A:ADP5001
|
3.6
|
10.9
|
1.0
|
ND2
|
A:ASN332
|
3.6
|
19.4
|
1.0
|
NZ
|
A:LYS498
|
3.7
|
16.5
|
1.0
|
O
|
A:HOH4003
|
3.7
|
19.6
|
1.0
|
MG
|
A:MG7002
|
3.8
|
16.4
|
1.0
|
O3A
|
A:ADP5001
|
4.0
|
17.6
|
1.0
|
CG
|
A:GLU330
|
4.0
|
14.4
|
1.0
|
CA
|
A:ARG538
|
4.2
|
25.2
|
1.0
|
O
|
A:HOH3646
|
4.2
|
50.4
|
1.0
|
O
|
A:HOH3447
|
4.3
|
38.3
|
1.0
|
O
|
A:GLY537
|
4.3
|
22.6
|
1.0
|
O
|
A:HOH3073
|
4.4
|
25.7
|
1.0
|
O1B
|
A:ADP5001
|
4.4
|
17.9
|
1.0
|
CE
|
A:LYS498
|
4.5
|
17.4
|
1.0
|
CB
|
A:ASN332
|
4.5
|
16.4
|
1.0
|
CB
|
A:ARG538
|
4.6
|
26.8
|
1.0
|
N
|
A:CYS539
|
4.7
|
23.4
|
1.0
|
O2A
|
A:ADP5001
|
4.7
|
14.6
|
1.0
|
OD2
|
A:ASP318
|
4.8
|
21.4
|
1.0
|
CB
|
A:GLU330
|
4.9
|
17.1
|
1.0
|
PA
|
A:ADP5001
|
4.9
|
17.2
|
1.0
|
C
|
A:ARG538
|
4.9
|
24.7
|
1.0
|
CA
|
A:ASN332
|
5.0
|
18.0
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 2io8
Go back to
Magnesium Binding Sites List in 2io8
Magnesium binding site 2 out
of 4 in the E. Coli Bifunctional Glutathionylspermidine Synthetase/Amidase Incomplex with MG2+ and Adp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of E. Coli Bifunctional Glutathionylspermidine Synthetase/Amidase Incomplex with MG2+ and Adp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg7002
b:16.4
occ:1.00
|
OD2
|
A:ASP318
|
1.9
|
21.4
|
1.0
|
O2A
|
A:ADP5001
|
2.0
|
14.6
|
1.0
|
O
|
A:HOH4004
|
2.0
|
16.9
|
1.0
|
OE2
|
A:GLU330
|
2.1
|
17.6
|
1.0
|
O3B
|
A:ADP5001
|
2.1
|
10.9
|
1.0
|
O
|
A:HOH4003
|
2.2
|
19.6
|
1.0
|
CD
|
A:GLU330
|
3.2
|
13.8
|
1.0
|
CG
|
A:ASP318
|
3.2
|
24.1
|
1.0
|
PA
|
A:ADP5001
|
3.2
|
17.2
|
1.0
|
PB
|
A:ADP5001
|
3.2
|
15.2
|
1.0
|
O3A
|
A:ADP5001
|
3.5
|
17.6
|
1.0
|
O
|
A:HOH4002
|
3.6
|
15.0
|
1.0
|
O
|
A:HOH3027
|
3.6
|
23.7
|
1.0
|
CG
|
A:GLU330
|
3.7
|
14.4
|
1.0
|
O2B
|
A:ADP5001
|
3.7
|
16.3
|
1.0
|
MG
|
A:MG7001
|
3.8
|
16.3
|
1.0
|
ND2
|
A:ASN332
|
4.0
|
19.4
|
1.0
|
CB
|
A:ASP318
|
4.1
|
17.6
|
1.0
|
OD1
|
A:ASP318
|
4.1
|
24.8
|
1.0
|
O
|
A:HOH3119
|
4.1
|
33.0
|
1.0
|
OE1
|
A:GLU330
|
4.2
|
13.0
|
1.0
|
C5'
|
A:ADP5001
|
4.2
|
19.6
|
1.0
|
O5'
|
A:ADP5001
|
4.2
|
20.6
|
1.0
|
O3'
|
A:ADP5001
|
4.3
|
17.5
|
1.0
|
O1A
|
A:ADP5001
|
4.3
|
16.9
|
1.0
|
O1B
|
A:ADP5001
|
4.5
|
17.9
|
1.0
|
NH1
|
A:ARG316
|
4.5
|
36.5
|
1.0
|
O
|
A:HOH3910
|
4.5
|
50.1
|
1.0
|
OE1
|
A:GLN582
|
4.6
|
21.5
|
1.0
|
OD1
|
A:ASN332
|
4.7
|
15.3
|
1.0
|
C3'
|
A:ADP5001
|
4.8
|
17.2
|
1.0
|
CG
|
A:ASN332
|
4.8
|
16.6
|
1.0
|
C4'
|
A:ADP5001
|
5.0
|
18.7
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 2io8
Go back to
Magnesium Binding Sites List in 2io8
Magnesium binding site 3 out
of 4 in the E. Coli Bifunctional Glutathionylspermidine Synthetase/Amidase Incomplex with MG2+ and Adp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of E. Coli Bifunctional Glutathionylspermidine Synthetase/Amidase Incomplex with MG2+ and Adp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg7003
b:17.6
occ:1.00
|
O
|
B:HOH4005
|
2.0
|
17.0
|
1.0
|
O2B
|
B:ADP5002
|
2.0
|
18.8
|
1.0
|
OE1
|
B:GLU330
|
2.0
|
17.8
|
1.0
|
O
|
B:HOH4006
|
2.1
|
18.4
|
1.0
|
OE2
|
B:GLU330
|
2.1
|
21.4
|
1.0
|
OD1
|
B:ASN332
|
2.1
|
11.0
|
1.0
|
CD
|
B:GLU330
|
2.4
|
18.9
|
1.0
|
CG
|
B:ASN332
|
3.1
|
15.4
|
1.0
|
PB
|
B:ADP5002
|
3.1
|
18.0
|
1.0
|
ND2
|
B:ASN332
|
3.4
|
13.8
|
1.0
|
O3B
|
B:ADP5002
|
3.4
|
17.8
|
1.0
|
O
|
B:HOH4007
|
3.5
|
19.7
|
1.0
|
MG
|
B:MG7004
|
3.6
|
20.5
|
1.0
|
NZ
|
B:LYS498
|
3.8
|
17.4
|
1.0
|
O3A
|
B:ADP5002
|
3.9
|
16.0
|
1.0
|
CG
|
B:GLU330
|
3.9
|
17.9
|
1.0
|
CA
|
B:ARG538
|
4.3
|
29.7
|
1.0
|
CB
|
B:ARG538
|
4.3
|
32.8
|
1.0
|
O1B
|
B:ADP5002
|
4.3
|
20.1
|
1.0
|
O
|
B:GLY537
|
4.4
|
25.2
|
1.0
|
CB
|
B:ASN332
|
4.5
|
14.8
|
1.0
|
O2A
|
B:ADP5002
|
4.5
|
14.5
|
1.0
|
OD2
|
B:ASP318
|
4.5
|
23.8
|
1.0
|
O
|
B:HOH3911
|
4.5
|
32.2
|
1.0
|
PA
|
B:ADP5002
|
4.7
|
17.3
|
1.0
|
CB
|
B:GLU330
|
4.8
|
18.5
|
1.0
|
O
|
B:HOH3104
|
4.9
|
28.4
|
1.0
|
N
|
B:CYS539
|
4.9
|
28.2
|
1.0
|
O
|
B:HOH3307
|
4.9
|
50.8
|
1.0
|
CA
|
B:ASN332
|
5.0
|
20.6
|
1.0
|
CE
|
B:LYS498
|
5.0
|
19.2
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 2io8
Go back to
Magnesium Binding Sites List in 2io8
Magnesium binding site 4 out
of 4 in the E. Coli Bifunctional Glutathionylspermidine Synthetase/Amidase Incomplex with MG2+ and Adp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of E. Coli Bifunctional Glutathionylspermidine Synthetase/Amidase Incomplex with MG2+ and Adp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg7004
b:20.5
occ:1.00
|
OD2
|
B:ASP318
|
1.9
|
23.8
|
1.0
|
O3B
|
B:ADP5002
|
2.0
|
17.8
|
1.0
|
OE2
|
B:GLU330
|
2.1
|
21.4
|
1.0
|
O
|
B:HOH4007
|
2.1
|
19.7
|
1.0
|
O
|
B:HOH4008
|
2.1
|
22.2
|
1.0
|
O2A
|
B:ADP5002
|
2.1
|
14.5
|
1.0
|
CG
|
B:ASP318
|
3.1
|
24.1
|
1.0
|
PB
|
B:ADP5002
|
3.2
|
18.0
|
1.0
|
CD
|
B:GLU330
|
3.2
|
18.9
|
1.0
|
PA
|
B:ADP5002
|
3.3
|
17.3
|
1.0
|
O
|
B:HOH3100
|
3.3
|
26.8
|
1.0
|
O
|
B:HOH4006
|
3.6
|
18.4
|
1.0
|
O3A
|
B:ADP5002
|
3.6
|
16.0
|
1.0
|
MG
|
B:MG7003
|
3.6
|
17.6
|
1.0
|
O2B
|
B:ADP5002
|
3.7
|
18.8
|
1.0
|
OD1
|
B:ASP318
|
3.8
|
26.5
|
1.0
|
CG
|
B:GLU330
|
3.9
|
17.9
|
1.0
|
ND2
|
B:ASN332
|
4.0
|
13.8
|
1.0
|
NH1
|
B:ARG316
|
4.1
|
32.3
|
1.0
|
CB
|
B:ASP318
|
4.2
|
20.5
|
1.0
|
OE1
|
B:GLU330
|
4.2
|
17.8
|
1.0
|
O3'
|
B:ADP5002
|
4.3
|
21.2
|
1.0
|
O5'
|
B:ADP5002
|
4.4
|
18.6
|
1.0
|
C5'
|
B:ADP5002
|
4.4
|
20.0
|
1.0
|
O
|
B:HOH3685
|
4.4
|
40.0
|
1.0
|
O
|
B:HOH3911
|
4.4
|
32.2
|
1.0
|
O1B
|
B:ADP5002
|
4.5
|
20.1
|
1.0
|
O1A
|
B:ADP5002
|
4.5
|
16.1
|
1.0
|
O
|
B:HOH3329
|
4.5
|
39.0
|
1.0
|
NE2
|
B:GLN582
|
4.6
|
24.9
|
1.0
|
OD1
|
B:ASN332
|
4.7
|
11.0
|
1.0
|
CG
|
B:ASN332
|
4.8
|
15.4
|
1.0
|
C3'
|
B:ADP5002
|
4.9
|
21.9
|
1.0
|
|
Reference:
C.H.Pai,
B.Y.Chiang,
T.P.Ko,
C.C.Chou,
C.M.Chong,
F.J.Yen,
S.Chen,
J.K.Coward,
A.H.-J.Wang,
C.H.Lin.
Dual Binding Sites For Translocation Catalysis By Escherichia Coli Glutathionylspermidine Synthetase Embo J. V. 25 5970 2006.
ISSN: ISSN 0261-4189
PubMed: 17124497
DOI: 10.1038/SJ.EMBOJ.7601440
Page generated: Wed Aug 14 00:13:12 2024
|