Magnesium in PDB 4okz: Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate
Enzymatic activity of Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate
All present enzymatic activity of Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate:
2.5.1.21;
Protein crystallography data
The structure of Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate, PDB code: 4okz
was solved by
P.Baer,
P.Rabe,
K.Fischer,
C.A.Citron,
T.Klapschinski,
M.Groll,
J.S.Dickschat,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
15.00 /
1.90
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
75.090,
117.780,
185.590,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
14.3 /
17.7
|
Magnesium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Magnesium atom in the Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate
(pdb code 4okz). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 12 binding sites of Magnesium where determined in the
Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate, PDB code: 4okz:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 12 in 4okz
Go back to
Magnesium Binding Sites List in 4okz
Magnesium binding site 1 out
of 12 in the Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg901
b:24.8
occ:1.00
|
OE2
|
A:GLU87
|
1.9
|
23.2
|
1.0
|
|
O3B
|
A:3E9904
|
2.0
|
23.9
|
1.0
|
|
O2A
|
A:3E9904
|
2.1
|
22.8
|
1.0
|
|
O
|
A:HOH1274
|
2.1
|
28.4
|
1.0
|
|
O
|
A:HOH1281
|
2.2
|
23.7
|
1.0
|
|
O
|
A:HOH1231
|
2.4
|
24.2
|
1.0
|
|
PB
|
A:3E9904
|
2.8
|
21.4
|
1.0
|
|
PA
|
A:3E9904
|
2.8
|
20.8
|
1.0
|
|
O3A
|
A:3E9904
|
2.9
|
21.2
|
1.0
|
|
CD
|
A:GLU87
|
3.0
|
23.6
|
1.0
|
|
MG
|
A:MG902
|
3.1
|
23.5
|
1.0
|
|
OE1
|
A:GLU87
|
3.5
|
25.0
|
1.0
|
|
OD2
|
A:ASP82
|
3.5
|
21.6
|
1.0
|
|
O1A
|
A:3E9904
|
3.6
|
20.7
|
1.0
|
|
O1B
|
A:3E9904
|
3.8
|
19.6
|
1.0
|
|
O
|
A:HOH1258
|
4.0
|
25.8
|
1.0
|
|
NZ
|
A:LYS231
|
4.0
|
23.5
|
1.0
|
|
O2B
|
A:3E9904
|
4.1
|
19.4
|
1.0
|
|
OD2
|
A:ASP83
|
4.1
|
28.8
|
1.0
|
|
NH1
|
A:ARG310
|
4.1
|
24.8
|
1.0
|
|
O1
|
A:3E9904
|
4.2
|
19.8
|
1.0
|
|
CG
|
A:GLU87
|
4.2
|
24.1
|
1.0
|
|
OE1
|
A:GLU232
|
4.3
|
23.9
|
1.0
|
|
O
|
A:HOH1045
|
4.5
|
25.4
|
1.0
|
|
O
|
A:HOH1257
|
4.7
|
23.7
|
1.0
|
|
MG
|
A:MG903
|
4.7
|
20.5
|
1.0
|
|
C2
|
A:3E9904
|
4.7
|
25.9
|
1.0
|
|
CG
|
A:ASP82
|
4.7
|
20.9
|
1.0
|
|
O
|
A:HOH1015
|
4.9
|
20.6
|
1.0
|
|
C1
|
A:3E9904
|
4.9
|
22.6
|
1.0
|
|
CB
|
A:GLU87
|
5.0
|
23.4
|
1.0
|
|
Magnesium binding site 2 out
of 12 in 4okz
Go back to
Magnesium Binding Sites List in 4okz
Magnesium binding site 2 out
of 12 in the Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg902
b:23.5
occ:1.00
|
O
|
A:HOH1258
|
2.1
|
25.8
|
1.0
|
|
O
|
A:HOH1257
|
2.1
|
23.7
|
1.0
|
|
O2A
|
A:3E9904
|
2.1
|
22.8
|
1.0
|
|
O
|
A:HOH1015
|
2.2
|
20.6
|
1.0
|
|
OD2
|
A:ASP82
|
2.2
|
21.6
|
1.0
|
|
OE2
|
A:GLU87
|
2.4
|
23.2
|
1.0
|
|
MG
|
A:MG901
|
3.1
|
24.8
|
1.0
|
|
CG
|
A:ASP82
|
3.1
|
20.9
|
1.0
|
|
CD
|
A:GLU87
|
3.1
|
23.6
|
1.0
|
|
OD1
|
A:ASP82
|
3.4
|
21.2
|
1.0
|
|
PA
|
A:3E9904
|
3.4
|
20.8
|
1.0
|
|
O
|
A:HOH1274
|
3.7
|
28.4
|
1.0
|
|
O1
|
A:3E9904
|
3.8
|
19.8
|
1.0
|
|
CG
|
A:GLU87
|
3.8
|
24.1
|
1.0
|
|
C2
|
A:3E9904
|
3.9
|
25.9
|
1.0
|
|
OE1
|
A:GLU87
|
3.9
|
25.0
|
1.0
|
|
O
|
A:HOH1281
|
4.3
|
23.7
|
1.0
|
|
O
|
A:HOH1045
|
4.3
|
25.4
|
1.0
|
|
O1A
|
A:3E9904
|
4.3
|
20.7
|
1.0
|
|
OE2
|
A:GLU159
|
4.4
|
24.5
|
1.0
|
|
O3A
|
A:3E9904
|
4.4
|
21.2
|
1.0
|
|
CB
|
A:ASP82
|
4.4
|
20.1
|
1.0
|
|
OE1
|
A:GLU159
|
4.5
|
21.8
|
1.0
|
|
C1
|
A:3E9904
|
4.5
|
22.6
|
1.0
|
|
O
|
A:ASP181
|
4.6
|
20.3
|
1.0
|
|
CD
|
A:GLU159
|
4.9
|
22.3
|
1.0
|
|
NH2
|
A:ARG178
|
4.9
|
22.8
|
1.0
|
|
O
|
A:ASP82
|
5.0
|
22.0
|
1.0
|
|
O3B
|
A:3E9904
|
5.0
|
23.9
|
1.0
|
|
O
|
A:HOH1231
|
5.0
|
24.2
|
1.0
|
|
OD2
|
A:ASP181
|
5.0
|
27.0
|
1.0
|
|
Magnesium binding site 3 out
of 12 in 4okz
Go back to
Magnesium Binding Sites List in 4okz
Magnesium binding site 3 out
of 12 in the Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg903
b:20.5
occ:1.00
|
O
|
A:HOH1267
|
2.0
|
22.1
|
1.0
|
|
O1B
|
A:3E9904
|
2.1
|
19.6
|
1.0
|
|
O1A
|
A:3E9904
|
2.1
|
20.7
|
1.0
|
|
OG
|
A:SER228
|
2.1
|
21.2
|
1.0
|
|
OE1
|
A:GLU232
|
2.2
|
23.9
|
1.0
|
|
OD1
|
A:ASN224
|
2.2
|
20.9
|
1.0
|
|
CD
|
A:GLU232
|
3.1
|
23.6
|
1.0
|
|
CB
|
A:SER228
|
3.1
|
23.8
|
1.0
|
|
CG
|
A:ASN224
|
3.1
|
22.4
|
1.0
|
|
PA
|
A:3E9904
|
3.4
|
20.8
|
1.0
|
|
PB
|
A:3E9904
|
3.4
|
21.4
|
1.0
|
|
ND2
|
A:ASN224
|
3.5
|
23.3
|
1.0
|
|
OE2
|
A:GLU232
|
3.5
|
23.3
|
1.0
|
|
O3A
|
A:3E9904
|
3.7
|
21.2
|
1.0
|
|
O
|
A:HOH1045
|
3.8
|
25.4
|
1.0
|
|
NH1
|
A:ARG178
|
3.9
|
23.4
|
1.0
|
|
O
|
A:ASN224
|
4.0
|
20.4
|
1.0
|
|
O
|
A:HOH1281
|
4.0
|
23.7
|
1.0
|
|
O3B
|
A:3E9904
|
4.1
|
23.9
|
1.0
|
|
CG
|
A:GLU232
|
4.2
|
24.1
|
1.0
|
|
O2A
|
A:3E9904
|
4.2
|
22.8
|
1.0
|
|
C
|
A:ASN224
|
4.3
|
20.9
|
1.0
|
|
O2B
|
A:3E9904
|
4.3
|
19.4
|
1.0
|
|
CB
|
A:ASN224
|
4.4
|
22.5
|
1.0
|
|
O1
|
A:3E9904
|
4.5
|
19.8
|
1.0
|
|
CA
|
A:SER228
|
4.5
|
24.0
|
1.0
|
|
OD2
|
A:ASP225
|
4.5
|
19.9
|
1.0
|
|
N
|
A:ASP225
|
4.6
|
21.1
|
1.0
|
|
MG
|
A:MG901
|
4.7
|
24.8
|
1.0
|
|
CA
|
A:ASP225
|
4.8
|
21.9
|
1.0
|
|
C
|
A:SER228
|
4.9
|
24.0
|
1.0
|
|
CZ
|
A:ARG178
|
4.9
|
22.4
|
1.0
|
|
O
|
A:SER228
|
5.0
|
25.0
|
1.0
|
|
CA
|
A:ASN224
|
5.0
|
22.4
|
1.0
|
|
CE
|
A:LYS231
|
5.0
|
23.6
|
1.0
|
|
Magnesium binding site 4 out
of 12 in 4okz
Go back to
Magnesium Binding Sites List in 4okz
Magnesium binding site 4 out
of 12 in the Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg901
b:19.3
occ:1.00
|
OE2
|
B:GLU87
|
1.8
|
17.3
|
1.0
|
|
O2A
|
B:3E9904
|
1.9
|
18.0
|
1.0
|
|
O
|
B:HOH1316
|
2.0
|
17.2
|
1.0
|
|
O
|
B:HOH1310
|
2.2
|
16.8
|
1.0
|
|
O3B
|
B:3E9904
|
2.2
|
20.2
|
1.0
|
|
O
|
B:HOH1294
|
2.3
|
18.8
|
1.0
|
|
PA
|
B:3E9904
|
2.8
|
18.5
|
1.0
|
|
CD
|
B:GLU87
|
2.8
|
17.8
|
1.0
|
|
PB
|
B:3E9904
|
3.0
|
17.9
|
1.0
|
|
O3A
|
B:3E9904
|
3.0
|
17.4
|
1.0
|
|
MG
|
B:MG902
|
3.1
|
17.4
|
1.0
|
|
OE1
|
B:GLU87
|
3.3
|
18.9
|
1.0
|
|
OD2
|
B:ASP82
|
3.5
|
15.8
|
1.0
|
|
O1A
|
B:3E9904
|
3.6
|
18.4
|
1.0
|
|
OD2
|
B:ASP83
|
3.9
|
20.9
|
1.0
|
|
NZ
|
B:LYS231
|
4.0
|
16.4
|
1.0
|
|
O
|
B:HOH1308
|
4.0
|
15.6
|
1.0
|
|
O1B
|
B:3E9904
|
4.0
|
16.9
|
1.0
|
|
CG
|
B:GLU87
|
4.1
|
18.6
|
1.0
|
|
NH1
|
B:ARG310
|
4.1
|
18.8
|
1.0
|
|
O2B
|
B:3E9904
|
4.2
|
16.3
|
1.0
|
|
O1
|
B:3E9904
|
4.2
|
17.9
|
1.0
|
|
OE1
|
B:GLU232
|
4.4
|
17.3
|
1.0
|
|
O
|
B:HOH1030
|
4.5
|
18.7
|
1.0
|
|
CG
|
B:ASP82
|
4.7
|
15.7
|
1.0
|
|
CB
|
B:GLU87
|
4.7
|
17.8
|
1.0
|
|
C2
|
B:3E9904
|
4.8
|
25.5
|
1.0
|
|
MG
|
B:MG903
|
4.8
|
17.4
|
1.0
|
|
O
|
B:HOH1272
|
4.8
|
14.0
|
1.0
|
|
O
|
B:HOH1013
|
4.8
|
22.5
|
1.0
|
|
O
|
B:HOH1183
|
5.0
|
31.9
|
1.0
|
|
C1
|
B:3E9904
|
5.0
|
21.3
|
1.0
|
|
Magnesium binding site 5 out
of 12 in 4okz
Go back to
Magnesium Binding Sites List in 4okz
Magnesium binding site 5 out
of 12 in the Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg902
b:17.4
occ:1.00
|
O2A
|
B:3E9904
|
1.9
|
18.0
|
1.0
|
|
O
|
B:HOH1308
|
2.0
|
15.6
|
1.0
|
|
O
|
B:HOH1272
|
2.1
|
14.0
|
1.0
|
|
OD2
|
B:ASP82
|
2.2
|
15.8
|
1.0
|
|
OE2
|
B:GLU87
|
2.2
|
17.3
|
1.0
|
|
O
|
B:HOH1322
|
2.5
|
32.9
|
1.0
|
|
CD
|
B:GLU87
|
3.0
|
17.8
|
1.0
|
|
MG
|
B:MG901
|
3.1
|
19.3
|
1.0
|
|
CG
|
B:ASP82
|
3.1
|
15.7
|
1.0
|
|
PA
|
B:3E9904
|
3.2
|
18.5
|
1.0
|
|
OD1
|
B:ASP82
|
3.3
|
15.7
|
1.0
|
|
O
|
B:HOH1316
|
3.6
|
17.2
|
1.0
|
|
CG
|
B:GLU87
|
3.7
|
18.6
|
1.0
|
|
O1
|
B:3E9904
|
3.7
|
17.9
|
1.0
|
|
OE1
|
B:GLU87
|
3.8
|
18.9
|
1.0
|
|
C2
|
B:3E9904
|
3.9
|
25.5
|
1.0
|
|
O1A
|
B:3E9904
|
4.2
|
18.4
|
1.0
|
|
O
|
B:HOH1030
|
4.2
|
18.7
|
1.0
|
|
O
|
B:HOH1310
|
4.3
|
16.8
|
1.0
|
|
OE2
|
B:GLU159
|
4.3
|
21.8
|
1.0
|
|
OE1
|
B:GLU159
|
4.4
|
18.6
|
1.0
|
|
CB
|
B:ASP82
|
4.5
|
15.6
|
1.0
|
|
O3A
|
B:3E9904
|
4.5
|
17.4
|
1.0
|
|
C1
|
B:3E9904
|
4.5
|
21.3
|
1.0
|
|
O
|
B:ASP181
|
4.6
|
18.1
|
1.0
|
|
CD
|
B:GLU159
|
4.8
|
20.2
|
1.0
|
|
NH2
|
B:ARG178
|
4.9
|
16.6
|
1.0
|
|
O
|
B:HOH1180
|
4.9
|
39.6
|
1.0
|
|
O
|
B:HOH1294
|
4.9
|
18.8
|
1.0
|
|
O
|
B:ASP82
|
4.9
|
17.1
|
1.0
|
|
Magnesium binding site 6 out
of 12 in 4okz
Go back to
Magnesium Binding Sites List in 4okz
Magnesium binding site 6 out
of 12 in the Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg903
b:17.4
occ:1.00
|
O1B
|
B:3E9904
|
2.1
|
16.9
|
1.0
|
|
O1A
|
B:3E9904
|
2.1
|
18.4
|
1.0
|
|
OG
|
B:SER228
|
2.1
|
16.6
|
1.0
|
|
O
|
B:HOH1309
|
2.1
|
18.4
|
1.0
|
|
OE1
|
B:GLU232
|
2.2
|
17.3
|
1.0
|
|
OD1
|
B:ASN224
|
2.2
|
16.7
|
1.0
|
|
CD
|
B:GLU232
|
3.1
|
17.9
|
1.0
|
|
CB
|
B:SER228
|
3.1
|
16.9
|
1.0
|
|
CG
|
B:ASN224
|
3.1
|
17.4
|
1.0
|
|
PB
|
B:3E9904
|
3.4
|
17.9
|
1.0
|
|
PA
|
B:3E9904
|
3.5
|
18.5
|
1.0
|
|
ND2
|
B:ASN224
|
3.5
|
17.3
|
1.0
|
|
OE2
|
B:GLU232
|
3.5
|
18.9
|
1.0
|
|
O3A
|
B:3E9904
|
3.6
|
17.4
|
1.0
|
|
O
|
B:HOH1030
|
3.8
|
18.7
|
1.0
|
|
NH1
|
B:ARG178
|
3.9
|
16.9
|
1.0
|
|
O
|
B:ASN224
|
3.9
|
17.4
|
1.0
|
|
O
|
B:HOH1310
|
4.0
|
16.8
|
1.0
|
|
O3B
|
B:3E9904
|
4.1
|
20.2
|
1.0
|
|
CG
|
B:GLU232
|
4.2
|
18.7
|
1.0
|
|
C
|
B:ASN224
|
4.3
|
17.0
|
1.0
|
|
O2B
|
B:3E9904
|
4.3
|
16.3
|
1.0
|
|
O1
|
B:3E9904
|
4.4
|
17.9
|
1.0
|
|
CB
|
B:ASN224
|
4.5
|
16.5
|
1.0
|
|
OD2
|
B:ASP225
|
4.5
|
18.0
|
1.0
|
|
CA
|
B:SER228
|
4.5
|
17.6
|
1.0
|
|
O2A
|
B:3E9904
|
4.5
|
18.0
|
1.0
|
|
N
|
B:ASP225
|
4.7
|
17.4
|
1.0
|
|
CA
|
B:ASP225
|
4.8
|
17.3
|
1.0
|
|
MG
|
B:MG901
|
4.8
|
19.3
|
1.0
|
|
C
|
B:SER228
|
4.9
|
18.1
|
1.0
|
|
CE
|
B:LYS231
|
4.9
|
18.5
|
1.0
|
|
CZ
|
B:ARG178
|
5.0
|
17.1
|
1.0
|
|
CA
|
B:ASN224
|
5.0
|
17.2
|
1.0
|
|
O
|
B:SER228
|
5.0
|
19.2
|
1.0
|
|
Magnesium binding site 7 out
of 12 in 4okz
Go back to
Magnesium Binding Sites List in 4okz
Magnesium binding site 7 out
of 12 in the Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg901
b:22.6
occ:1.00
|
OE2
|
C:GLU87
|
1.8
|
19.9
|
1.0
|
|
O2A
|
C:3E9904
|
2.1
|
19.3
|
1.0
|
|
O
|
C:HOH1293
|
2.1
|
19.6
|
1.0
|
|
O3B
|
C:3E9904
|
2.2
|
23.1
|
1.0
|
|
O
|
C:HOH1288
|
2.2
|
16.1
|
1.0
|
|
O
|
C:HOH1014
|
2.3
|
22.9
|
1.0
|
|
CD
|
C:GLU87
|
2.9
|
18.4
|
1.0
|
|
PA
|
C:3E9904
|
2.9
|
20.1
|
1.0
|
|
PB
|
C:3E9904
|
3.0
|
21.2
|
1.0
|
|
O3A
|
C:3E9904
|
3.1
|
19.0
|
1.0
|
|
MG
|
C:MG902
|
3.2
|
18.3
|
1.0
|
|
OE1
|
C:GLU87
|
3.4
|
19.1
|
1.0
|
|
OD2
|
C:ASP82
|
3.6
|
16.0
|
1.0
|
|
O1A
|
C:3E9904
|
3.7
|
19.3
|
1.0
|
|
OD2
|
C:ASP83
|
3.9
|
22.2
|
1.0
|
|
NZ
|
C:LYS231
|
3.9
|
20.6
|
1.0
|
|
NH1
|
C:ARG310
|
4.0
|
20.1
|
1.0
|
|
O2B
|
C:3E9904
|
4.0
|
18.6
|
1.0
|
|
CG
|
C:GLU87
|
4.1
|
17.8
|
1.0
|
|
O
|
C:HOH1298
|
4.1
|
21.8
|
1.0
|
|
OE1
|
C:GLU232
|
4.3
|
21.8
|
1.0
|
|
O1
|
C:3E9904
|
4.3
|
19.7
|
1.0
|
|
O1B
|
C:3E9904
|
4.3
|
22.0
|
1.0
|
|
O
|
C:HOH1042
|
4.6
|
21.5
|
1.0
|
|
MG
|
C:MG903
|
4.7
|
21.2
|
1.0
|
|
CB
|
C:GLU87
|
4.8
|
17.7
|
1.0
|
|
CG
|
C:ASP82
|
4.8
|
16.0
|
1.0
|
|
C2
|
C:3E9904
|
4.9
|
27.9
|
1.0
|
|
O
|
C:HOH1289
|
4.9
|
20.8
|
1.0
|
|
O
|
C:HOH1015
|
4.9
|
27.7
|
1.0
|
|
CE
|
C:LYS231
|
4.9
|
22.4
|
1.0
|
|
O
|
C:HOH1273
|
5.0
|
16.1
|
1.0
|
|
Magnesium binding site 8 out
of 12 in 4okz
Go back to
Magnesium Binding Sites List in 4okz
Magnesium binding site 8 out
of 12 in the Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg902
b:18.3
occ:1.00
|
O2A
|
C:3E9904
|
1.9
|
19.3
|
1.0
|
|
O
|
C:HOH1298
|
2.0
|
21.8
|
1.0
|
|
O
|
C:HOH1289
|
2.2
|
20.8
|
1.0
|
|
O
|
C:HOH1273
|
2.2
|
16.1
|
1.0
|
|
OE2
|
C:GLU87
|
2.2
|
19.9
|
1.0
|
|
OD2
|
C:ASP82
|
2.2
|
16.0
|
1.0
|
|
CD
|
C:GLU87
|
3.0
|
18.4
|
1.0
|
|
CG
|
C:ASP82
|
3.1
|
16.0
|
1.0
|
|
MG
|
C:MG901
|
3.2
|
22.6
|
1.0
|
|
PA
|
C:3E9904
|
3.3
|
20.1
|
1.0
|
|
OD1
|
C:ASP82
|
3.4
|
15.9
|
1.0
|
|
CG
|
C:GLU87
|
3.6
|
17.8
|
1.0
|
|
O
|
C:HOH1288
|
3.7
|
16.1
|
1.0
|
|
OE1
|
C:GLU87
|
3.8
|
19.1
|
1.0
|
|
O1
|
C:3E9904
|
3.8
|
19.7
|
1.0
|
|
C2
|
C:3E9904
|
3.9
|
27.9
|
1.0
|
|
O1A
|
C:3E9904
|
4.2
|
19.3
|
1.0
|
|
O
|
C:HOH1293
|
4.2
|
19.6
|
1.0
|
|
O
|
C:HOH1042
|
4.2
|
21.5
|
1.0
|
|
OE2
|
C:GLU159
|
4.3
|
21.2
|
1.0
|
|
OE1
|
C:GLU159
|
4.4
|
21.1
|
1.0
|
|
CB
|
C:ASP82
|
4.5
|
14.8
|
1.0
|
|
O3A
|
C:3E9904
|
4.5
|
19.0
|
1.0
|
|
C1
|
C:3E9904
|
4.6
|
23.9
|
1.0
|
|
O
|
C:ASP181
|
4.7
|
20.0
|
1.0
|
|
CD
|
C:GLU159
|
4.8
|
20.8
|
1.0
|
|
NH2
|
C:ARG178
|
4.8
|
19.5
|
1.0
|
|
OD2
|
C:ASP181
|
4.9
|
23.2
|
1.0
|
|
O
|
C:ASP82
|
4.9
|
17.3
|
1.0
|
|
Magnesium binding site 9 out
of 12 in 4okz
Go back to
Magnesium Binding Sites List in 4okz
Magnesium binding site 9 out
of 12 in the Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg903
b:21.2
occ:1.00
|
OG
|
C:SER228
|
1.9
|
21.0
|
1.0
|
|
OD1
|
C:ASN224
|
2.1
|
21.1
|
1.0
|
|
OE1
|
C:GLU232
|
2.1
|
21.8
|
1.0
|
|
O1A
|
C:3E9904
|
2.2
|
19.3
|
1.0
|
|
O1B
|
C:3E9904
|
2.2
|
22.0
|
1.0
|
|
O
|
C:HOH1294
|
2.3
|
22.5
|
1.0
|
|
PB
|
C:3E9904
|
2.8
|
21.2
|
1.0
|
|
CB
|
C:SER228
|
3.0
|
21.1
|
1.0
|
|
CG
|
C:ASN224
|
3.0
|
20.3
|
1.0
|
|
CD
|
C:GLU232
|
3.1
|
20.7
|
1.0
|
|
O3A
|
C:3E9904
|
3.2
|
19.0
|
1.0
|
|
ND2
|
C:ASN224
|
3.4
|
18.6
|
1.0
|
|
PA
|
C:3E9904
|
3.4
|
20.1
|
1.0
|
|
OE2
|
C:GLU232
|
3.7
|
21.2
|
1.0
|
|
O3B
|
C:3E9904
|
3.7
|
23.1
|
1.0
|
|
O2B
|
C:3E9904
|
3.8
|
18.6
|
1.0
|
|
O
|
C:HOH1042
|
3.9
|
21.5
|
1.0
|
|
O
|
C:ASN224
|
3.9
|
21.4
|
1.0
|
|
O
|
C:HOH1293
|
4.0
|
19.6
|
1.0
|
|
NH1
|
C:ARG178
|
4.0
|
20.8
|
1.0
|
|
CG
|
C:GLU232
|
4.2
|
20.5
|
1.0
|
|
C
|
C:ASN224
|
4.3
|
21.0
|
1.0
|
|
O1
|
C:3E9904
|
4.4
|
19.7
|
1.0
|
|
CA
|
C:SER228
|
4.4
|
20.9
|
1.0
|
|
CB
|
C:ASN224
|
4.4
|
19.6
|
1.0
|
|
O2A
|
C:3E9904
|
4.4
|
19.3
|
1.0
|
|
OD2
|
C:ASP225
|
4.6
|
20.6
|
1.0
|
|
MG
|
C:MG901
|
4.7
|
22.6
|
1.0
|
|
N
|
C:ASP225
|
4.8
|
20.3
|
1.0
|
|
CE
|
C:LYS231
|
4.8
|
22.4
|
1.0
|
|
C
|
C:SER228
|
4.9
|
21.8
|
1.0
|
|
CA
|
C:ASP225
|
4.9
|
21.1
|
1.0
|
|
O
|
C:SER228
|
4.9
|
21.9
|
1.0
|
|
CA
|
C:ASN224
|
5.0
|
20.8
|
1.0
|
|
Magnesium binding site 10 out
of 12 in 4okz
Go back to
Magnesium Binding Sites List in 4okz
Magnesium binding site 10 out
of 12 in the Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Selinadiene Synthase in Complex with Dihydrofarnesyl Pyrophosphate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg901
b:30.9
occ:1.00
|
OE2
|
D:GLU87
|
1.8
|
27.1
|
1.0
|
|
O3B
|
D:3E9904
|
1.9
|
30.7
|
1.0
|
|
O
|
D:HOH1263
|
2.0
|
24.1
|
1.0
|
|
O
|
D:HOH1213
|
2.0
|
31.7
|
1.0
|
|
O
|
D:HOH1254
|
2.3
|
28.4
|
1.0
|
|
O2A
|
D:3E9904
|
2.5
|
27.7
|
1.0
|
|
CD
|
D:GLU87
|
2.9
|
26.8
|
1.0
|
|
PB
|
D:3E9904
|
2.9
|
25.6
|
1.0
|
|
PA
|
D:3E9904
|
3.2
|
26.4
|
1.0
|
|
O3A
|
D:3E9904
|
3.2
|
24.6
|
1.0
|
|
MG
|
D:MG902
|
3.3
|
26.2
|
1.0
|
|
OE1
|
D:GLU87
|
3.3
|
29.6
|
1.0
|
|
NZ
|
D:LYS231
|
3.7
|
26.7
|
1.0
|
|
O1A
|
D:3E9904
|
3.8
|
24.5
|
1.0
|
|
OD2
|
D:ASP82
|
3.8
|
23.5
|
1.0
|
|
O2B
|
D:3E9904
|
3.9
|
21.5
|
1.0
|
|
NH1
|
D:ARG310
|
3.9
|
28.8
|
1.0
|
|
OD2
|
D:ASP83
|
4.0
|
28.6
|
1.0
|
|
CG
|
D:GLU87
|
4.1
|
26.4
|
1.0
|
|
OE1
|
D:GLU232
|
4.2
|
25.1
|
1.0
|
|
O
|
D:HOH1264
|
4.3
|
26.2
|
1.0
|
|
O1B
|
D:3E9904
|
4.3
|
27.1
|
1.0
|
|
O
|
D:HOH1268
|
4.6
|
29.3
|
1.0
|
|
O
|
D:HOH1082
|
4.6
|
30.1
|
1.0
|
|
O1
|
D:3E9904
|
4.7
|
26.0
|
1.0
|
|
MG
|
D:MG903
|
4.7
|
26.2
|
1.0
|
|
O
|
D:HOH1023
|
4.7
|
34.6
|
1.0
|
|
CB
|
D:GLU87
|
4.7
|
28.3
|
1.0
|
|
CE
|
D:LYS231
|
4.8
|
28.3
|
1.0
|
|
O
|
D:HOH1227
|
4.9
|
26.2
|
1.0
|
|
CG
|
D:ASP82
|
5.0
|
23.5
|
1.0
|
|
O
|
D:HOH1251
|
5.0
|
29.5
|
1.0
|
|
Reference:
P.Baer,
P.Rabe,
K.Fischer,
C.A.Citron,
T.A.Klapschinski,
M.Groll,
J.S.Dickschat.
Induced-Fit Mechanism in Class I Terpene Cyclases. Angew.Chem.Int.Ed.Engl. V. 53 7652 2014.
ISSN: ISSN 1433-7851
PubMed: 24890698
DOI: 10.1002/ANIE.201403648
Page generated: Tue Aug 20 00:54:37 2024
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