Magnesium in PDB 2e92: S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium and Bph-261
Enzymatic activity of S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium and Bph-261
All present enzymatic activity of S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium and Bph-261:
2.5.1.30;
Protein crystallography data
The structure of S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium and Bph-261, PDB code: 2e92
was solved by
R.T.Guo,
T.P.Ko,
R.Cao,
W.Y.Jeng,
C.K.-M.Chen,
T.H.Chang,
P.H.Liang,
E.Oldfield,
A.H.-J.Wang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.31
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
46.871,
116.051,
127.733,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
19.9 /
25.7
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium and Bph-261
(pdb code 2e92). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium and Bph-261, PDB code: 2e92:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 2e92
Go back to
Magnesium Binding Sites List in 2e92
Magnesium binding site 1 out
of 4 in the S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium and Bph-261
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium and Bph-261 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1301
b:42.8
occ:1.00
|
OD2
|
A:ASP84
|
2.1
|
36.1
|
1.0
|
O5
|
A:M0N901
|
2.2
|
38.9
|
1.0
|
OD1
|
A:ASP80
|
2.3
|
39.9
|
1.0
|
CG
|
A:ASP84
|
3.0
|
35.0
|
1.0
|
CG
|
A:ASP80
|
3.1
|
36.4
|
1.0
|
OD1
|
A:ASP84
|
3.2
|
34.5
|
1.0
|
OD2
|
A:ASP80
|
3.2
|
40.6
|
1.0
|
P2
|
A:M0N901
|
3.3
|
40.9
|
1.0
|
O4
|
A:M0N901
|
3.3
|
39.7
|
1.0
|
MG
|
A:MG1302
|
3.4
|
53.9
|
1.0
|
NE2
|
A:GLN147
|
3.8
|
38.8
|
1.0
|
O6
|
A:M0N901
|
4.3
|
42.6
|
1.0
|
O
|
A:HOH406
|
4.3
|
36.9
|
1.0
|
CB
|
A:ASP84
|
4.4
|
35.4
|
1.0
|
CB
|
A:ASP80
|
4.4
|
35.4
|
1.0
|
C8
|
A:M0N901
|
4.6
|
48.7
|
1.0
|
CD
|
A:GLN147
|
4.6
|
39.6
|
1.0
|
C9
|
A:M0N901
|
4.6
|
44.3
|
1.0
|
OD2
|
A:ASP150
|
4.6
|
46.9
|
1.0
|
O
|
A:ASP80
|
4.6
|
28.3
|
1.0
|
NZ
|
A:LYS238
|
4.7
|
40.2
|
1.0
|
OE1
|
A:GLN147
|
4.8
|
39.6
|
1.0
|
O1
|
A:M0N901
|
4.8
|
42.8
|
1.0
|
C2
|
A:M0N901
|
4.8
|
53.9
|
1.0
|
CA
|
A:ASP80
|
5.0
|
33.0
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 2e92
Go back to
Magnesium Binding Sites List in 2e92
Magnesium binding site 2 out
of 4 in the S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium and Bph-261
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium and Bph-261 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1302
b:53.9
occ:1.00
|
OD2
|
A:ASP80
|
2.1
|
40.6
|
1.0
|
O5
|
A:M0N901
|
2.2
|
38.9
|
1.0
|
OD2
|
A:ASP84
|
2.3
|
36.1
|
1.0
|
O1
|
A:M0N901
|
2.3
|
42.8
|
1.0
|
CG
|
A:ASP80
|
3.2
|
36.4
|
1.0
|
CG
|
A:ASP84
|
3.3
|
35.0
|
1.0
|
MG
|
A:MG1301
|
3.4
|
42.8
|
1.0
|
CB
|
A:ASP84
|
3.6
|
35.4
|
1.0
|
P2
|
A:M0N901
|
3.6
|
40.9
|
1.0
|
P1
|
A:M0N901
|
3.7
|
44.0
|
1.0
|
OD1
|
A:ASP80
|
3.7
|
39.9
|
1.0
|
NH2
|
A:ARG89
|
4.0
|
41.1
|
1.0
|
O6
|
A:M0N901
|
4.0
|
42.6
|
1.0
|
OE2
|
A:GLU236
|
4.1
|
58.5
|
1.0
|
C9
|
A:M0N901
|
4.1
|
44.3
|
1.0
|
O
|
A:ASP80
|
4.3
|
28.3
|
1.0
|
O2
|
A:M0N901
|
4.3
|
42.0
|
1.0
|
OD1
|
A:ASP81
|
4.3
|
37.5
|
1.0
|
C8
|
A:M0N901
|
4.4
|
48.7
|
1.0
|
OD1
|
A:ASP84
|
4.4
|
34.5
|
1.0
|
CB
|
A:ASP80
|
4.4
|
35.4
|
1.0
|
OE1
|
A:GLU236
|
4.6
|
60.6
|
1.0
|
C
|
A:ASP80
|
4.6
|
32.7
|
1.0
|
O
|
A:HOH722
|
4.6
|
37.3
|
1.0
|
CD
|
A:GLU236
|
4.7
|
59.8
|
1.0
|
O4
|
A:M0N901
|
4.8
|
39.7
|
1.0
|
O
|
A:HOH406
|
4.8
|
36.9
|
1.0
|
O3
|
A:M0N901
|
4.9
|
49.0
|
1.0
|
O
|
A:HOH566
|
4.9
|
41.8
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 2e92
Go back to
Magnesium Binding Sites List in 2e92
Magnesium binding site 3 out
of 4 in the S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium and Bph-261
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium and Bph-261 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1303
b:44.9
occ:1.00
|
O1
|
B:M0N902
|
1.9
|
48.5
|
1.0
|
OD1
|
B:ASP80
|
2.0
|
44.6
|
1.0
|
O5
|
B:M0N902
|
2.1
|
48.0
|
1.0
|
OD2
|
B:ASP84
|
2.3
|
36.8
|
1.0
|
O
|
B:HOH708
|
2.5
|
29.7
|
1.0
|
CG
|
B:ASP80
|
3.1
|
46.3
|
1.0
|
P2
|
B:M0N902
|
3.1
|
48.9
|
1.0
|
MG
|
B:MG1304
|
3.2
|
45.1
|
1.0
|
P1
|
B:M0N902
|
3.2
|
49.6
|
1.0
|
O6
|
B:M0N902
|
3.3
|
50.7
|
1.0
|
OD2
|
B:ASP80
|
3.4
|
47.6
|
1.0
|
CG
|
B:ASP84
|
3.5
|
37.9
|
1.0
|
C9
|
B:M0N902
|
3.6
|
50.8
|
1.0
|
O2
|
B:M0N902
|
3.9
|
49.8
|
1.0
|
C8
|
B:M0N902
|
3.9
|
54.9
|
1.0
|
CB
|
B:ASP84
|
4.2
|
34.9
|
1.0
|
NH2
|
B:ARG89
|
4.3
|
54.6
|
1.0
|
O3
|
B:M0N902
|
4.4
|
51.8
|
1.0
|
CB
|
B:ASP80
|
4.4
|
42.9
|
1.0
|
O4
|
B:M0N902
|
4.5
|
46.4
|
1.0
|
OD1
|
B:ASP84
|
4.5
|
37.2
|
1.0
|
OE1
|
B:GLU236
|
4.5
|
52.8
|
1.0
|
O
|
B:HOH707
|
4.5
|
38.5
|
1.0
|
O
|
B:ASP80
|
4.6
|
42.9
|
1.0
|
NZ
|
B:LYS238
|
4.6
|
43.1
|
1.0
|
O
|
B:HOH595
|
4.8
|
47.0
|
1.0
|
OD1
|
B:ASP81
|
4.9
|
40.3
|
1.0
|
C
|
B:ASP80
|
4.9
|
41.2
|
1.0
|
O
|
B:M0N902
|
4.9
|
47.1
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 2e92
Go back to
Magnesium Binding Sites List in 2e92
Magnesium binding site 4 out
of 4 in the S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium and Bph-261
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium and Bph-261 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1304
b:45.1
occ:1.00
|
OD2
|
B:ASP80
|
2.1
|
47.6
|
1.0
|
O5
|
B:M0N902
|
2.1
|
48.0
|
1.0
|
O
|
B:HOH707
|
2.2
|
38.5
|
1.0
|
OD2
|
B:ASP84
|
2.3
|
36.8
|
1.0
|
CG
|
B:ASP80
|
3.0
|
46.3
|
1.0
|
CG
|
B:ASP84
|
3.1
|
37.9
|
1.0
|
OD1
|
B:ASP84
|
3.1
|
37.2
|
1.0
|
MG
|
B:MG1303
|
3.2
|
44.9
|
1.0
|
OD1
|
B:ASP80
|
3.2
|
44.6
|
1.0
|
P2
|
B:M0N902
|
3.5
|
48.9
|
1.0
|
OE1
|
B:GLN147
|
3.6
|
54.2
|
1.0
|
O4
|
B:M0N902
|
3.9
|
46.4
|
1.0
|
OD2
|
B:ASP150
|
4.0
|
48.8
|
1.0
|
CD
|
B:GLN147
|
4.3
|
50.1
|
1.0
|
CB
|
B:ASP80
|
4.3
|
42.9
|
1.0
|
OE2
|
B:GLU236
|
4.4
|
49.4
|
1.0
|
O6
|
B:M0N902
|
4.4
|
50.7
|
1.0
|
NE2
|
B:GLN147
|
4.5
|
50.6
|
1.0
|
CB
|
B:ASP84
|
4.5
|
34.9
|
1.0
|
O
|
B:ASP80
|
4.6
|
42.9
|
1.0
|
NZ
|
B:LYS238
|
4.6
|
43.1
|
1.0
|
O1
|
B:M0N902
|
4.7
|
48.5
|
1.0
|
C8
|
B:M0N902
|
4.8
|
54.9
|
1.0
|
C9
|
B:M0N902
|
4.8
|
50.8
|
1.0
|
CA
|
B:ASP80
|
4.8
|
40.6
|
1.0
|
O
|
B:HOH708
|
4.9
|
29.7
|
1.0
|
|
Reference:
R.T.Guo,
R.Cao,
P.H.Liang,
T.P.Ko,
T.H.Chang,
M.P.Hudock,
W.Y.Jeng,
C.K.-M.Chen,
Y.Zhang,
Y.Song,
C.J.Kuo,
F.Yin,
E.Oldfield,
A.H.-J.Wang.
Bisphosphonates Target Multiple Sites in Both Cis- and Trans-Prenyltransferases Proc.Natl.Acad.Sci.Usa V. 104 10022 2007.
ISSN: ISSN 0027-8424
PubMed: 17535895
DOI: 10.1073/PNAS.0702254104
Page generated: Tue Aug 13 22:43:10 2024
|