Manganese in PDB 1lby: Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion
Enzymatic activity of Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion
All present enzymatic activity of Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion:
3.1.3.11;
3.1.3.25;
Protein crystallography data
The structure of Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion, PDB code: 1lby
was solved by
K.A.Stieglitz,
K.A.Johnson,
H.Yang,
M.F.Roberts,
B.A.Seaton,
J.F.Head,
B.Stec,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.25
|
Space group
|
P 32
|
Cell size a, b, c (Å), α, β, γ (°)
|
89.250,
89.250,
102.970,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
15.2 /
21
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion
(pdb code 1lby). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the
Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion, PDB code: 1lby:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
Manganese binding site 1 out
of 6 in 1lby
Go back to
Manganese Binding Sites List in 1lby
Manganese binding site 1 out
of 6 in the Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn290
b:15.3
occ:1.00
|
O1
|
A:PO4293
|
2.0
|
26.8
|
1.0
|
OD2
|
A:ASP85
|
2.0
|
11.1
|
1.0
|
O
|
A:HOH1158
|
2.2
|
40.2
|
1.0
|
OD1
|
A:ASP200
|
2.3
|
53.9
|
1.0
|
OD2
|
A:ASP82
|
2.7
|
42.5
|
1.0
|
CG
|
A:ASP85
|
3.0
|
19.3
|
1.0
|
O1
|
A:F6P295
|
3.0
|
69.1
|
0.7
|
CG
|
A:ASP200
|
3.2
|
20.9
|
1.0
|
C1
|
A:F6P295
|
3.2
|
49.6
|
0.7
|
O2
|
A:F6P295
|
3.2
|
39.4
|
0.7
|
MN
|
A:MN291
|
3.3
|
10.6
|
1.0
|
P
|
A:PO4293
|
3.4
|
32.9
|
1.0
|
CB
|
A:ASP85
|
3.4
|
17.1
|
1.0
|
CG
|
A:ASP82
|
3.5
|
26.4
|
1.0
|
OE1
|
A:GLU67
|
3.6
|
27.8
|
1.0
|
CB
|
A:ASP200
|
3.7
|
15.6
|
1.0
|
OD1
|
A:ASP82
|
3.7
|
30.4
|
1.0
|
C2
|
A:F6P295
|
3.7
|
38.0
|
0.7
|
CA
|
A:ASP85
|
3.7
|
16.1
|
1.0
|
O3
|
A:F6P295
|
3.9
|
11.5
|
0.7
|
OD1
|
A:ASP85
|
4.1
|
19.6
|
1.0
|
CD
|
A:GLU67
|
4.1
|
18.7
|
1.0
|
O4
|
A:PO4293
|
4.1
|
23.0
|
1.0
|
O3
|
A:PO4293
|
4.1
|
24.3
|
1.0
|
OE2
|
A:GLU67
|
4.1
|
33.6
|
1.0
|
OD2
|
A:ASP200
|
4.2
|
20.0
|
1.0
|
C3
|
A:F6P295
|
4.3
|
26.8
|
0.7
|
CA
|
A:ASP200
|
4.4
|
15.2
|
1.0
|
O2
|
A:PO4293
|
4.4
|
11.7
|
1.0
|
N
|
A:ASP85
|
4.7
|
24.9
|
1.0
|
C
|
A:ASP85
|
4.9
|
11.6
|
1.0
|
CB
|
A:ASP82
|
4.9
|
26.4
|
1.0
|
N
|
A:GLY86
|
4.9
|
9.7
|
1.0
|
O5
|
A:F6P295
|
5.0
|
42.5
|
0.7
|
|
Manganese binding site 2 out
of 6 in 1lby
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Manganese Binding Sites List in 1lby
Manganese binding site 2 out
of 6 in the Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn291
b:10.6
occ:1.00
|
OE1
|
A:GLU67
|
1.8
|
27.8
|
1.0
|
O
|
A:HOH1140
|
2.3
|
0.0
|
1.0
|
OD1
|
A:ASP82
|
2.6
|
30.4
|
1.0
|
O1
|
A:PO4293
|
2.6
|
26.8
|
1.0
|
O
|
A:LEU84
|
2.7
|
31.3
|
1.0
|
CD
|
A:GLU67
|
2.7
|
18.7
|
1.0
|
O2
|
A:PO4293
|
2.9
|
11.7
|
1.0
|
OE2
|
A:GLU67
|
3.0
|
33.6
|
1.0
|
C
|
A:LEU84
|
3.0
|
23.4
|
1.0
|
P
|
A:PO4293
|
3.2
|
32.9
|
1.0
|
N
|
A:ASP85
|
3.3
|
24.9
|
1.0
|
MN
|
A:MN290
|
3.3
|
15.3
|
1.0
|
CA
|
A:ASP85
|
3.4
|
16.1
|
1.0
|
CG
|
A:ASP82
|
3.5
|
26.4
|
1.0
|
OG1
|
A:THR87
|
3.6
|
30.4
|
1.0
|
OD2
|
A:ASP82
|
3.8
|
42.5
|
1.0
|
O
|
A:HOH1158
|
3.8
|
40.2
|
1.0
|
O4
|
A:PO4293
|
3.8
|
23.0
|
1.0
|
N
|
A:LEU84
|
3.9
|
22.1
|
1.0
|
CA
|
A:LEU84
|
4.0
|
15.1
|
1.0
|
CG
|
A:GLU67
|
4.1
|
16.4
|
1.0
|
CB
|
A:ASP85
|
4.2
|
17.1
|
1.0
|
OD2
|
A:ASP85
|
4.5
|
11.1
|
1.0
|
OE2
|
A:GLU68
|
4.5
|
58.8
|
1.0
|
O3
|
A:PO4293
|
4.5
|
24.3
|
1.0
|
C
|
A:ASP85
|
4.5
|
11.6
|
1.0
|
CB
|
A:GLU67
|
4.6
|
12.5
|
1.0
|
CD
|
A:PRO83
|
4.6
|
16.7
|
1.0
|
OD1
|
A:ASP46
|
4.7
|
23.8
|
1.0
|
CB
|
A:LEU84
|
4.7
|
6.3
|
1.0
|
CG
|
A:ASP85
|
4.8
|
19.3
|
1.0
|
N
|
A:GLY86
|
4.9
|
9.7
|
1.0
|
CB
|
A:ASP82
|
4.9
|
26.4
|
1.0
|
OD1
|
A:ASP200
|
4.9
|
53.9
|
1.0
|
N
|
A:PRO83
|
4.9
|
27.2
|
1.0
|
|
Manganese binding site 3 out
of 6 in 1lby
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Manganese Binding Sites List in 1lby
Manganese binding site 3 out
of 6 in the Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn292
b:18.6
occ:1.00
|
O
|
A:HOH1159
|
2.1
|
86.7
|
1.0
|
O
|
A:HOH1001
|
2.3
|
60.9
|
1.0
|
OG1
|
A:THR40
|
2.4
|
20.0
|
1.0
|
OD2
|
A:ASP38
|
2.6
|
84.6
|
1.0
|
OE2
|
A:GLU67
|
2.7
|
33.6
|
1.0
|
O
|
A:HOH1003
|
3.0
|
34.0
|
1.0
|
CG
|
A:ASP38
|
3.3
|
42.9
|
1.0
|
CD
|
A:GLU67
|
3.6
|
18.7
|
1.0
|
CG
|
A:GLU67
|
3.8
|
16.4
|
1.0
|
CB
|
A:THR40
|
3.8
|
45.2
|
1.0
|
OD1
|
A:ASP38
|
3.9
|
32.5
|
1.0
|
O2
|
A:PO4293
|
4.0
|
11.7
|
1.0
|
CB
|
A:ASP38
|
4.1
|
35.1
|
1.0
|
O
|
A:HOH1150
|
4.1
|
29.0
|
1.0
|
O
|
A:PRO41
|
4.3
|
28.0
|
1.0
|
O3
|
A:PO4293
|
4.4
|
24.3
|
1.0
|
O
|
A:THR40
|
4.5
|
33.8
|
1.0
|
CG2
|
A:THR40
|
4.5
|
69.2
|
1.0
|
OE2
|
A:GLU68
|
4.5
|
58.8
|
1.0
|
OE1
|
A:GLU68
|
4.6
|
36.0
|
1.0
|
O
|
A:HOH1158
|
4.7
|
40.2
|
1.0
|
C
|
A:THR40
|
4.7
|
28.0
|
1.0
|
P
|
A:PO4293
|
4.7
|
32.9
|
1.0
|
CA
|
A:THR40
|
4.7
|
36.5
|
1.0
|
OE1
|
A:GLU67
|
4.8
|
27.8
|
1.0
|
O
|
A:HOH1160
|
4.8
|
26.2
|
1.0
|
CD
|
A:GLU68
|
5.0
|
27.1
|
1.0
|
|
Manganese binding site 4 out
of 6 in 1lby
Go back to
Manganese Binding Sites List in 1lby
Manganese binding site 4 out
of 6 in the Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn590
b:14.3
occ:1.00
|
OD1
|
B:ASP500
|
1.9
|
18.1
|
1.0
|
O
|
B:HOH1166
|
2.0
|
97.9
|
1.0
|
OD2
|
B:ASP382
|
2.1
|
2.6
|
1.0
|
OD1
|
B:ASP385
|
2.6
|
33.5
|
1.0
|
O1
|
B:PO4593
|
2.7
|
23.4
|
1.0
|
CG
|
B:ASP500
|
3.1
|
13.2
|
1.0
|
O2
|
B:PO4593
|
3.3
|
11.6
|
1.0
|
C1
|
B:F6P595
|
3.3
|
38.1
|
0.6
|
CG
|
B:ASP382
|
3.3
|
14.0
|
1.0
|
CG
|
B:ASP385
|
3.5
|
32.9
|
1.0
|
P
|
B:PO4593
|
3.5
|
16.9
|
1.0
|
OE1
|
B:GLU367
|
3.5
|
49.9
|
1.0
|
O2
|
B:F6P595
|
3.6
|
58.0
|
0.6
|
OD2
|
B:ASP500
|
3.7
|
28.6
|
1.0
|
O
|
B:HOH1112
|
3.8
|
21.4
|
1.0
|
OD1
|
B:ASP382
|
3.9
|
5.4
|
1.0
|
MN
|
B:MN591
|
3.9
|
6.8
|
1.0
|
O1
|
B:F6P595
|
3.9
|
74.1
|
0.6
|
C2
|
B:F6P595
|
3.9
|
36.5
|
0.6
|
CB
|
B:ASP385
|
4.0
|
30.6
|
1.0
|
CA
|
B:ASP385
|
4.2
|
31.7
|
1.0
|
CB
|
B:ASP500
|
4.3
|
4.2
|
1.0
|
O4
|
B:PO4593
|
4.3
|
17.3
|
1.0
|
O3
|
B:F6P595
|
4.4
|
9.4
|
0.6
|
OD2
|
B:ASP385
|
4.4
|
41.0
|
1.0
|
CB
|
B:ASP382
|
4.4
|
21.3
|
1.0
|
CA
|
B:ASP500
|
4.5
|
14.6
|
1.0
|
CD1
|
B:TYR499
|
4.5
|
11.9
|
1.0
|
C3
|
B:F6P595
|
4.5
|
33.5
|
0.6
|
CD
|
B:GLU367
|
4.6
|
34.1
|
1.0
|
CE1
|
B:TYR499
|
4.6
|
8.0
|
1.0
|
O
|
B:HOH1180
|
4.8
|
97.9
|
1.0
|
O3
|
B:PO4593
|
4.8
|
61.9
|
1.0
|
O
|
B:LEU384
|
4.8
|
12.8
|
1.0
|
OE2
|
B:GLU367
|
4.9
|
54.6
|
1.0
|
|
Manganese binding site 5 out
of 6 in 1lby
Go back to
Manganese Binding Sites List in 1lby
Manganese binding site 5 out
of 6 in the Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn591
b:6.8
occ:1.00
|
O
|
B:LEU384
|
1.9
|
12.8
|
1.0
|
O2
|
B:PO4593
|
1.9
|
11.6
|
1.0
|
OD1
|
B:ASP382
|
2.0
|
5.4
|
1.0
|
O
|
B:HOH1005
|
2.5
|
26.0
|
1.0
|
OE1
|
B:GLU367
|
2.7
|
49.9
|
1.0
|
CG
|
B:ASP382
|
2.9
|
14.0
|
1.0
|
C
|
B:LEU384
|
2.9
|
12.0
|
1.0
|
OE2
|
B:GLU367
|
3.0
|
54.6
|
1.0
|
CD
|
B:GLU367
|
3.1
|
34.1
|
1.0
|
P
|
B:PO4593
|
3.2
|
16.9
|
1.0
|
OD2
|
B:ASP382
|
3.3
|
2.6
|
1.0
|
O3
|
B:PO4593
|
3.5
|
61.9
|
1.0
|
O
|
B:HOH1166
|
3.6
|
97.9
|
1.0
|
N
|
B:ASP385
|
3.7
|
23.8
|
1.0
|
O1
|
B:PO4593
|
3.8
|
23.4
|
1.0
|
N
|
B:LEU384
|
3.8
|
23.7
|
1.0
|
MN
|
B:MN590
|
3.9
|
14.3
|
1.0
|
CA
|
B:LEU384
|
3.9
|
21.4
|
1.0
|
CA
|
B:ASP385
|
4.0
|
31.7
|
1.0
|
CB
|
B:ASP382
|
4.2
|
21.3
|
1.0
|
OE2
|
B:GLU368
|
4.2
|
11.8
|
1.0
|
CD
|
B:PRO383
|
4.2
|
12.4
|
1.0
|
O4
|
B:PO4593
|
4.3
|
17.3
|
1.0
|
CG
|
B:GLU367
|
4.4
|
16.1
|
1.0
|
CG
|
B:PRO383
|
4.5
|
5.2
|
1.0
|
OG1
|
B:THR387
|
4.5
|
24.9
|
1.0
|
N
|
B:PRO383
|
4.5
|
22.4
|
1.0
|
CA
|
B:ASP382
|
4.5
|
17.3
|
1.0
|
CB
|
B:LEU384
|
4.5
|
21.1
|
1.0
|
OD1
|
B:ASP346
|
4.6
|
26.0
|
1.0
|
C
|
B:ASP382
|
4.6
|
23.0
|
1.0
|
CB
|
B:GLU367
|
4.6
|
7.0
|
1.0
|
O
|
B:HOH1165
|
4.6
|
99.5
|
1.0
|
CB
|
B:ASP385
|
4.7
|
30.6
|
1.0
|
C
|
B:PRO383
|
5.0
|
27.2
|
1.0
|
|
Manganese binding site 6 out
of 6 in 1lby
Go back to
Manganese Binding Sites List in 1lby
Manganese binding site 6 out
of 6 in the Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Crystal Structure of A Complex (P32 Crystal Form) of Dual Activity Fbpase/Impase (AF2372) From Archaeoglobus Fulgidus with 3 Manganese Ions, Fructose-6-Phosphate, and Phosphate Ion within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn592
b:23.1
occ:1.00
|
O
|
B:HOH1180
|
2.1
|
97.9
|
1.0
|
O
|
B:HOH1165
|
2.2
|
99.5
|
1.0
|
OE2
|
B:GLU367
|
2.6
|
54.6
|
1.0
|
O
|
B:HOH1108
|
2.6
|
20.2
|
1.0
|
OG1
|
B:THR340
|
2.6
|
58.6
|
1.0
|
OD2
|
B:ASP338
|
2.7
|
15.3
|
1.0
|
CB
|
B:THR340
|
3.3
|
23.5
|
1.0
|
CD
|
B:GLU367
|
3.5
|
34.1
|
1.0
|
CG
|
B:ASP338
|
3.7
|
15.1
|
1.0
|
O3
|
B:PO4593
|
3.7
|
61.9
|
1.0
|
CG2
|
B:THR340
|
3.7
|
10.8
|
1.0
|
OD1
|
B:ASP338
|
3.9
|
12.4
|
1.0
|
CG
|
B:GLU367
|
4.1
|
16.1
|
1.0
|
O
|
B:HOH1004
|
4.2
|
11.5
|
1.0
|
O
|
B:HOH1166
|
4.2
|
97.9
|
1.0
|
O1
|
B:PO4593
|
4.3
|
23.4
|
1.0
|
O
|
B:HOH1148
|
4.3
|
31.6
|
1.0
|
OE1
|
B:GLU367
|
4.3
|
49.9
|
1.0
|
O
|
B:PRO341
|
4.4
|
25.9
|
1.0
|
OE2
|
B:GLU368
|
4.5
|
11.8
|
1.0
|
P
|
B:PO4593
|
4.6
|
16.9
|
1.0
|
CA
|
B:THR340
|
4.7
|
14.9
|
1.0
|
OE1
|
B:GLU368
|
4.8
|
2.8
|
1.0
|
C
|
B:THR340
|
4.9
|
14.9
|
1.0
|
|
Reference:
K.A.Stieglitz,
K.A.Johnson,
H.Yang,
M.F.Roberts,
B.A.Seaton,
J.F.Head,
B.Stec.
Crystal Structure of A Dual Activity Impase/Fbpase (AF2372) From Archaeoglobus Fulgidus. the Story of A Mobile Loop. J.Biol.Chem. V. 277 22863 2002.
ISSN: ISSN 0021-9258
PubMed: 11940584
DOI: 10.1074/JBC.M201042200
Page generated: Sat Oct 5 11:25:56 2024
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