Molybdenum in PDB 3zx0: NTPDASE1 in Complex with Heptamolybdate
Enzymatic activity of NTPDASE1 in Complex with Heptamolybdate
All present enzymatic activity of NTPDASE1 in Complex with Heptamolybdate:
3.6.1.5;
Protein crystallography data
The structure of NTPDASE1 in Complex with Heptamolybdate, PDB code: 3zx0
was solved by
M.Zebisch,
P.Schaefer,
N.Straeter,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
145.73 /
2.50
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
163.807,
80.267,
164.921,
90.00,
117.92,
90.00
|
R / Rfree (%)
|
21.3 /
25.7
|
Other elements in 3zx0:
The structure of NTPDASE1 in Complex with Heptamolybdate also contains other interesting chemical elements:
Molybdenum Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
28;
Binding sites:
The binding sites of Molybdenum atom in the NTPDASE1 in Complex with Heptamolybdate
(pdb code 3zx0). This binding sites where shown within
5.0 Angstroms radius around Molybdenum atom.
In total 28 binding sites of Molybdenum where determined in the
NTPDASE1 in Complex with Heptamolybdate, PDB code: 3zx0:
Jump to Molybdenum binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Molybdenum binding site 1 out
of 28 in 3zx0
Go back to
Molybdenum Binding Sites List in 3zx0
Molybdenum binding site 1 out
of 28 in the NTPDASE1 in Complex with Heptamolybdate
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 1 of NTPDASE1 in Complex with Heptamolybdate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mo531
b:44.1
occ:0.50
|
MO1
|
A:MO7531
|
0.0
|
44.1
|
0.5
|
O4
|
A:MO7531
|
1.7
|
47.6
|
0.5
|
O1
|
A:MO7531
|
1.8
|
37.1
|
0.5
|
O3
|
A:MO7531
|
1.9
|
42.8
|
0.5
|
O17
|
A:MO7531
|
1.9
|
46.8
|
0.5
|
O5
|
A:MO7531
|
2.2
|
38.9
|
0.5
|
O2
|
A:MO7531
|
2.2
|
48.4
|
0.5
|
O7
|
A:MO7531
|
3.0
|
46.9
|
0.5
|
O18
|
A:MO7531
|
3.1
|
44.3
|
0.5
|
O19
|
A:MO7531
|
3.1
|
42.6
|
0.5
|
MO2
|
A:MO7531
|
3.2
|
55.9
|
0.5
|
MO7
|
A:MO7531
|
3.2
|
51.6
|
0.5
|
MO3
|
A:MO7531
|
3.3
|
52.0
|
0.5
|
MO5
|
A:MO7531
|
3.3
|
37.0
|
0.5
|
O20
|
A:MO7531
|
3.4
|
45.9
|
0.5
|
O9
|
A:MO7531
|
3.5
|
45.9
|
0.5
|
MO4
|
A:MO7531
|
3.5
|
50.3
|
0.5
|
MO6
|
A:MO7531
|
3.5
|
61.0
|
0.5
|
O12
|
A:MO7531
|
3.9
|
36.5
|
0.5
|
O8
|
A:MO7531
|
4.0
|
43.9
|
0.5
|
CG
|
A:LYS406
|
4.0
|
61.5
|
1.0
|
O23
|
A:MO7531
|
4.4
|
40.7
|
0.5
|
O16
|
A:MO7531
|
4.4
|
31.2
|
0.5
|
O10
|
A:MO7531
|
4.4
|
49.7
|
0.5
|
O22
|
A:MO7531
|
4.5
|
43.0
|
0.5
|
O11
|
A:MO7531
|
4.5
|
43.9
|
0.5
|
O15
|
A:MO7531
|
4.5
|
30.6
|
0.5
|
CD
|
A:LYS406
|
4.6
|
63.5
|
1.0
|
O13
|
A:MO7531
|
4.6
|
42.2
|
0.5
|
CE
|
A:LYS406
|
4.6
|
68.6
|
1.0
|
O24
|
A:MO7531
|
4.7
|
42.8
|
0.5
|
O21
|
A:MO7531
|
4.8
|
39.8
|
0.5
|
O6
|
A:MO7531
|
4.8
|
50.1
|
0.5
|
CB
|
A:LYS406
|
4.8
|
56.5
|
1.0
|
O14
|
A:MO7531
|
4.8
|
40.9
|
0.5
|
|
Molybdenum binding site 2 out
of 28 in 3zx0
Go back to
Molybdenum Binding Sites List in 3zx0
Molybdenum binding site 2 out
of 28 in the NTPDASE1 in Complex with Heptamolybdate
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 2 of NTPDASE1 in Complex with Heptamolybdate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mo531
b:55.9
occ:0.50
|
MO2
|
A:MO7531
|
0.0
|
55.9
|
0.5
|
O8
|
A:MO7531
|
1.7
|
43.9
|
0.5
|
O6
|
A:MO7531
|
1.7
|
50.1
|
0.5
|
O7
|
A:MO7531
|
1.9
|
46.9
|
0.5
|
O18
|
A:MO7531
|
2.0
|
44.3
|
0.5
|
O2
|
A:MO7531
|
2.1
|
48.4
|
0.5
|
O4
|
A:MO7531
|
2.4
|
47.6
|
0.5
|
O22
|
A:MO7531
|
2.7
|
43.0
|
0.5
|
O10
|
A:MO7531
|
3.1
|
49.7
|
0.5
|
MO6
|
A:MO7531
|
3.1
|
61.0
|
0.5
|
MO3
|
A:MO7531
|
3.2
|
52.0
|
0.5
|
MO1
|
A:MO7531
|
3.2
|
44.1
|
0.5
|
O17
|
A:MO7531
|
3.4
|
46.8
|
0.5
|
O3
|
A:MO7531
|
3.8
|
42.8
|
0.5
|
O20
|
A:MO7531
|
4.1
|
45.9
|
0.5
|
O9
|
A:MO7531
|
4.5
|
45.9
|
0.5
|
O11
|
A:MO7531
|
4.7
|
43.9
|
0.5
|
O5
|
A:MO7531
|
4.8
|
38.9
|
0.5
|
O21
|
A:MO7531
|
4.8
|
39.8
|
0.5
|
O1
|
A:MO7531
|
4.8
|
37.1
|
0.5
|
|
Molybdenum binding site 3 out
of 28 in 3zx0
Go back to
Molybdenum Binding Sites List in 3zx0
Molybdenum binding site 3 out
of 28 in the NTPDASE1 in Complex with Heptamolybdate
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 3 of NTPDASE1 in Complex with Heptamolybdate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mo531
b:52.0
occ:0.50
|
MO3
|
A:MO7531
|
0.0
|
52.0
|
0.5
|
O11
|
A:MO7531
|
1.7
|
43.9
|
0.5
|
O10
|
A:MO7531
|
1.8
|
49.7
|
0.5
|
O9
|
A:MO7531
|
2.0
|
45.9
|
0.5
|
O7
|
A:MO7531
|
2.0
|
46.9
|
0.5
|
O2
|
A:MO7531
|
2.1
|
48.4
|
0.5
|
O3
|
A:MO7531
|
2.2
|
42.8
|
0.5
|
MO2
|
A:MO7531
|
3.2
|
55.9
|
0.5
|
MO4
|
A:MO7531
|
3.2
|
50.3
|
0.5
|
MO1
|
A:MO7531
|
3.3
|
44.1
|
0.5
|
O20
|
A:MO7531
|
3.4
|
45.9
|
0.5
|
O5
|
A:MO7531
|
3.5
|
38.9
|
0.5
|
O6
|
A:MO7531
|
3.7
|
50.1
|
0.5
|
O22
|
A:MO7531
|
3.7
|
43.0
|
0.5
|
O14
|
A:MO7531
|
3.9
|
40.9
|
0.5
|
O4
|
A:MO7531
|
3.9
|
47.6
|
0.5
|
MO6
|
A:MO7531
|
4.0
|
61.0
|
0.5
|
O17
|
A:MO7531
|
4.1
|
46.8
|
0.5
|
O18
|
A:MO7531
|
4.3
|
44.3
|
0.5
|
O13
|
A:MO7531
|
4.5
|
42.2
|
0.5
|
O8
|
A:MO7531
|
4.6
|
43.9
|
0.5
|
MO7
|
A:MO7531
|
4.6
|
51.6
|
0.5
|
O1
|
A:MO7531
|
4.7
|
37.1
|
0.5
|
O12
|
A:MO7531
|
4.8
|
36.5
|
0.5
|
|
Molybdenum binding site 4 out
of 28 in 3zx0
Go back to
Molybdenum Binding Sites List in 3zx0
Molybdenum binding site 4 out
of 28 in the NTPDASE1 in Complex with Heptamolybdate
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 4 of NTPDASE1 in Complex with Heptamolybdate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mo531
b:50.3
occ:0.50
|
MO4
|
A:MO7531
|
0.0
|
50.3
|
0.5
|
O14
|
A:MO7531
|
1.7
|
40.9
|
0.5
|
O13
|
A:MO7531
|
1.8
|
42.2
|
0.5
|
O12
|
A:MO7531
|
2.0
|
36.5
|
0.5
|
O9
|
A:MO7531
|
2.0
|
45.9
|
0.5
|
O5
|
A:MO7531
|
2.0
|
38.9
|
0.5
|
O3
|
A:MO7531
|
2.2
|
42.8
|
0.5
|
MO5
|
A:MO7531
|
2.9
|
37.0
|
0.5
|
O16
|
A:MO7531
|
3.1
|
31.2
|
0.5
|
MO3
|
A:MO7531
|
3.2
|
52.0
|
0.5
|
O11
|
A:MO7531
|
3.3
|
43.9
|
0.5
|
MO1
|
A:MO7531
|
3.5
|
44.1
|
0.5
|
O19
|
A:MO7531
|
3.8
|
42.6
|
0.5
|
O20
|
A:MO7531
|
3.8
|
45.9
|
0.5
|
MO7
|
A:MO7531
|
3.9
|
51.6
|
0.5
|
O2
|
A:MO7531
|
3.9
|
48.4
|
0.5
|
O24
|
A:MO7531
|
3.9
|
42.8
|
0.5
|
O1
|
A:MO7531
|
3.9
|
37.1
|
0.5
|
O15
|
A:MO7531
|
4.3
|
30.6
|
0.5
|
O17
|
A:MO7531
|
4.5
|
46.8
|
0.5
|
O7
|
A:MO7531
|
4.5
|
46.9
|
0.5
|
O10
|
A:MO7531
|
4.8
|
49.7
|
0.5
|
|
Molybdenum binding site 5 out
of 28 in 3zx0
Go back to
Molybdenum Binding Sites List in 3zx0
Molybdenum binding site 5 out
of 28 in the NTPDASE1 in Complex with Heptamolybdate
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 5 of NTPDASE1 in Complex with Heptamolybdate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mo531
b:37.0
occ:0.50
|
MO5
|
A:MO7531
|
0.0
|
37.0
|
0.5
|
O15
|
A:MO7531
|
1.7
|
30.6
|
0.5
|
O16
|
A:MO7531
|
1.8
|
31.2
|
0.5
|
O12
|
A:MO7531
|
1.9
|
36.5
|
0.5
|
O19
|
A:MO7531
|
1.9
|
42.6
|
0.5
|
O5
|
A:MO7531
|
2.1
|
38.9
|
0.5
|
O1
|
A:MO7531
|
2.4
|
37.1
|
0.5
|
MO4
|
A:MO7531
|
2.9
|
50.3
|
0.5
|
O13
|
A:MO7531
|
3.2
|
42.2
|
0.5
|
MO1
|
A:MO7531
|
3.3
|
44.1
|
0.5
|
O3
|
A:MO7531
|
3.4
|
42.8
|
0.5
|
MO7
|
A:MO7531
|
3.5
|
51.6
|
0.5
|
O24
|
A:MO7531
|
3.8
|
42.8
|
0.5
|
CD
|
A:LYS408
|
3.8
|
64.9
|
1.0
|
O17
|
A:MO7531
|
4.0
|
46.8
|
0.5
|
CB
|
A:LYS408
|
4.0
|
56.4
|
1.0
|
O14
|
A:MO7531
|
4.1
|
40.9
|
0.5
|
CG
|
A:LYS408
|
4.2
|
61.5
|
1.0
|
N
|
A:LYS408
|
4.3
|
54.6
|
1.0
|
O9
|
A:MO7531
|
4.3
|
45.9
|
0.5
|
N
|
A:GLU407
|
4.4
|
54.2
|
1.0
|
CB
|
A:LYS406
|
4.7
|
56.5
|
1.0
|
O20
|
A:MO7531
|
4.7
|
45.9
|
0.5
|
CG
|
A:LYS406
|
4.8
|
61.5
|
1.0
|
CA
|
A:LYS408
|
4.8
|
53.6
|
1.0
|
O4
|
A:MO7531
|
4.8
|
47.6
|
0.5
|
O23
|
A:MO7531
|
4.8
|
40.7
|
0.5
|
O2
|
A:MO7531
|
4.9
|
48.4
|
0.5
|
C
|
A:LYS406
|
4.9
|
53.2
|
1.0
|
CA
|
A:LYS406
|
4.9
|
55.0
|
1.0
|
CE
|
A:LYS408
|
4.9
|
67.8
|
1.0
|
NZ
|
A:LYS408
|
5.0
|
73.4
|
1.0
|
|
Molybdenum binding site 6 out
of 28 in 3zx0
Go back to
Molybdenum Binding Sites List in 3zx0
Molybdenum binding site 6 out
of 28 in the NTPDASE1 in Complex with Heptamolybdate
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 6 of NTPDASE1 in Complex with Heptamolybdate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mo531
b:61.0
occ:0.50
|
MO6
|
A:MO7531
|
0.0
|
61.0
|
0.5
|
O21
|
A:MO7531
|
1.7
|
39.8
|
0.5
|
O22
|
A:MO7531
|
1.7
|
43.0
|
0.5
|
O20
|
A:MO7531
|
2.0
|
45.9
|
0.5
|
O18
|
A:MO7531
|
2.0
|
44.3
|
0.5
|
O2
|
A:MO7531
|
2.1
|
48.4
|
0.5
|
O17
|
A:MO7531
|
2.2
|
46.8
|
0.5
|
MO7
|
A:MO7531
|
3.1
|
51.6
|
0.5
|
MO2
|
A:MO7531
|
3.1
|
55.9
|
0.5
|
O23
|
A:MO7531
|
3.2
|
40.7
|
0.5
|
MO1
|
A:MO7531
|
3.5
|
44.1
|
0.5
|
O6
|
A:MO7531
|
3.7
|
50.1
|
0.5
|
O10
|
A:MO7531
|
3.7
|
49.7
|
0.5
|
O4
|
A:MO7531
|
3.9
|
47.6
|
0.5
|
O5
|
A:MO7531
|
3.9
|
38.9
|
0.5
|
MO3
|
A:MO7531
|
4.0
|
52.0
|
0.5
|
NZ
|
A:LYS406
|
4.0
|
70.7
|
1.0
|
O9
|
A:MO7531
|
4.0
|
45.9
|
0.5
|
CE
|
A:LYS406
|
4.2
|
68.6
|
1.0
|
O7
|
A:MO7531
|
4.2
|
46.9
|
0.5
|
O8
|
A:MO7531
|
4.5
|
43.9
|
0.5
|
O24
|
A:MO7531
|
4.5
|
42.8
|
0.5
|
O3
|
A:MO7531
|
4.5
|
42.8
|
0.5
|
O19
|
A:MO7531
|
4.6
|
42.6
|
0.5
|
|
Molybdenum binding site 7 out
of 28 in 3zx0
Go back to
Molybdenum Binding Sites List in 3zx0
Molybdenum binding site 7 out
of 28 in the NTPDASE1 in Complex with Heptamolybdate
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 7 of NTPDASE1 in Complex with Heptamolybdate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mo531
b:51.6
occ:0.50
|
MO7
|
A:MO7531
|
0.0
|
51.6
|
0.5
|
O23
|
A:MO7531
|
1.7
|
40.7
|
0.5
|
O24
|
A:MO7531
|
1.8
|
42.8
|
0.5
|
O20
|
A:MO7531
|
2.0
|
45.9
|
0.5
|
O19
|
A:MO7531
|
2.0
|
42.6
|
0.5
|
O5
|
A:MO7531
|
2.1
|
38.9
|
0.5
|
O17
|
A:MO7531
|
2.2
|
46.8
|
0.5
|
O21
|
A:MO7531
|
3.0
|
39.8
|
0.5
|
MO6
|
A:MO7531
|
3.1
|
61.0
|
0.5
|
NZ
|
A:LYS408
|
3.1
|
73.4
|
1.0
|
O16
|
A:MO7531
|
3.1
|
31.2
|
0.5
|
MO1
|
A:MO7531
|
3.2
|
44.1
|
0.5
|
O2
|
A:MO7531
|
3.3
|
48.4
|
0.5
|
MO5
|
A:MO7531
|
3.5
|
37.0
|
0.5
|
O9
|
A:MO7531
|
3.5
|
45.9
|
0.5
|
O13
|
A:MO7531
|
3.5
|
42.2
|
0.5
|
MO4
|
A:MO7531
|
3.9
|
50.3
|
0.5
|
O1
|
A:MO7531
|
3.9
|
37.1
|
0.5
|
O3
|
A:MO7531
|
4.0
|
42.8
|
0.5
|
NZ
|
A:LYS406
|
4.1
|
70.7
|
1.0
|
CD
|
A:LYS408
|
4.1
|
64.9
|
1.0
|
CE
|
A:LYS408
|
4.1
|
67.8
|
1.0
|
O18
|
A:MO7531
|
4.1
|
44.3
|
0.5
|
CD
|
A:LYS406
|
4.2
|
63.5
|
1.0
|
CE
|
A:LYS406
|
4.2
|
68.6
|
1.0
|
O22
|
A:MO7531
|
4.5
|
43.0
|
0.5
|
O4
|
A:MO7531
|
4.6
|
47.6
|
0.5
|
O12
|
A:MO7531
|
4.6
|
36.5
|
0.5
|
MO3
|
A:MO7531
|
4.6
|
52.0
|
0.5
|
CG
|
A:LYS406
|
4.7
|
61.5
|
1.0
|
|
Molybdenum binding site 8 out
of 28 in 3zx0
Go back to
Molybdenum Binding Sites List in 3zx0
Molybdenum binding site 8 out
of 28 in the NTPDASE1 in Complex with Heptamolybdate
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 8 of NTPDASE1 in Complex with Heptamolybdate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mo531
b:77.4
occ:0.50
|
MO1
|
B:MO7531
|
0.0
|
77.4
|
0.5
|
O3
|
C:MO7531
|
1.6
|
67.0
|
0.5
|
MO1
|
C:MO7531
|
1.6
|
60.6
|
0.5
|
O1
|
B:MO7531
|
1.7
|
64.2
|
0.5
|
O4
|
B:MO7531
|
1.8
|
65.1
|
0.5
|
O17
|
B:MO7531
|
1.9
|
55.1
|
0.5
|
O3
|
B:MO7531
|
1.9
|
72.4
|
0.5
|
O4
|
C:MO7531
|
2.1
|
53.5
|
0.5
|
O2
|
B:MO7531
|
2.2
|
70.2
|
0.5
|
O5
|
B:MO7531
|
2.3
|
67.4
|
0.5
|
O1
|
C:MO7531
|
2.3
|
60.3
|
0.5
|
O7
|
C:MO7531
|
2.4
|
70.6
|
0.5
|
O21
|
B:MO7531
|
2.7
|
53.1
|
0.5
|
O2
|
C:MO7531
|
2.8
|
65.7
|
0.5
|
MO3
|
C:MO7531
|
2.9
|
84.0
|
0.5
|
MO2
|
B:MO7531
|
2.9
|
70.9
|
0.5
|
O7
|
B:MO7531
|
3.0
|
78.9
|
0.5
|
O19
|
B:MO7531
|
3.0
|
45.3
|
0.5
|
MO7
|
B:MO7531
|
3.2
|
52.5
|
0.5
|
MO2
|
C:MO7531
|
3.2
|
73.0
|
0.5
|
O18
|
C:MO7531
|
3.2
|
51.7
|
0.5
|
MO6
|
B:MO7531
|
3.3
|
72.5
|
0.5
|
O5
|
C:MO7531
|
3.3
|
68.7
|
0.5
|
MO3
|
B:MO7531
|
3.3
|
94.8
|
0.5
|
MO5
|
B:MO7531
|
3.4
|
64.2
|
0.5
|
O11
|
C:MO7531
|
3.4
|
61.4
|
0.5
|
O17
|
C:MO7531
|
3.5
|
61.8
|
0.5
|
CG
|
B:LYS406
|
3.6
|
67.3
|
1.0
|
MO4
|
B:MO7531
|
3.6
|
88.3
|
0.5
|
O20
|
B:MO7531
|
3.7
|
55.5
|
0.5
|
MO4
|
C:MO7531
|
3.8
|
79.4
|
0.5
|
O9
|
C:MO7531
|
4.0
|
67.5
|
0.5
|
O13
|
B:MO7531
|
4.0
|
66.4
|
0.5
|
O9
|
B:MO7531
|
4.0
|
74.7
|
0.5
|
MO6
|
C:MO7531
|
4.0
|
64.4
|
0.5
|
O8
|
B:MO7531
|
4.0
|
56.7
|
0.5
|
O14
|
C:MO7531
|
4.1
|
66.9
|
0.5
|
O23
|
B:MO7531
|
4.1
|
43.8
|
0.5
|
O15
|
B:MO7531
|
4.2
|
53.3
|
0.5
|
O8
|
C:MO7531
|
4.2
|
52.7
|
0.5
|
O13
|
C:MO7531
|
4.2
|
63.7
|
0.5
|
O11
|
B:MO7531
|
4.3
|
70.7
|
0.5
|
O19
|
C:MO7531
|
4.3
|
52.8
|
0.5
|
O10
|
C:MO7531
|
4.3
|
72.0
|
0.5
|
MO5
|
C:MO7531
|
4.3
|
66.3
|
0.5
|
CD
|
B:LYS406
|
4.3
|
67.7
|
1.0
|
O6
|
B:MO7531
|
4.4
|
57.0
|
0.5
|
O18
|
B:MO7531
|
4.4
|
57.6
|
0.5
|
CB
|
B:LYS406
|
4.5
|
63.5
|
1.0
|
CE
|
B:LYS406
|
4.5
|
69.5
|
1.0
|
CG
|
C:LYS406
|
4.6
|
68.5
|
1.0
|
O21
|
C:MO7531
|
4.6
|
47.5
|
0.5
|
NZ
|
B:LYS406
|
4.6
|
72.4
|
1.0
|
O22
|
B:MO7531
|
4.6
|
47.1
|
0.5
|
O14
|
B:MO7531
|
4.7
|
67.7
|
0.5
|
O24
|
B:MO7531
|
4.7
|
48.0
|
0.5
|
O6
|
C:MO7531
|
4.7
|
63.4
|
0.5
|
O15
|
C:MO7531
|
4.8
|
49.6
|
0.5
|
O16
|
B:MO7531
|
4.8
|
56.7
|
0.5
|
MO7
|
C:MO7531
|
4.9
|
73.4
|
0.5
|
O12
|
B:MO7531
|
4.9
|
83.0
|
0.5
|
O20
|
C:MO7531
|
4.9
|
58.8
|
0.5
|
O10
|
B:MO7531
|
5.0
|
74.6
|
0.5
|
CA
|
B:LYS406
|
5.0
|
63.7
|
1.0
|
|
Molybdenum binding site 9 out
of 28 in 3zx0
Go back to
Molybdenum Binding Sites List in 3zx0
Molybdenum binding site 9 out
of 28 in the NTPDASE1 in Complex with Heptamolybdate
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 9 of NTPDASE1 in Complex with Heptamolybdate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mo531
b:70.9
occ:0.50
|
MO2
|
B:MO7531
|
0.0
|
70.9
|
0.5
|
O6
|
B:MO7531
|
1.7
|
57.0
|
0.5
|
O8
|
B:MO7531
|
1.7
|
56.7
|
0.5
|
O1
|
C:MO7531
|
1.8
|
60.3
|
0.5
|
O21
|
B:MO7531
|
1.9
|
53.1
|
0.5
|
O7
|
B:MO7531
|
2.0
|
78.9
|
0.5
|
O13
|
C:MO7531
|
2.0
|
63.7
|
0.5
|
O15
|
C:MO7531
|
2.1
|
49.6
|
0.5
|
O2
|
B:MO7531
|
2.1
|
70.2
|
0.5
|
MO5
|
C:MO7531
|
2.3
|
66.3
|
0.5
|
O3
|
C:MO7531
|
2.4
|
67.0
|
0.5
|
O1
|
B:MO7531
|
2.4
|
64.2
|
0.5
|
MO6
|
B:MO7531
|
2.7
|
72.5
|
0.5
|
MO1
|
B:MO7531
|
2.9
|
77.4
|
0.5
|
O5
|
C:MO7531
|
3.0
|
68.7
|
0.5
|
O22
|
B:MO7531
|
3.0
|
47.1
|
0.5
|
MO4
|
C:MO7531
|
3.0
|
79.4
|
0.5
|
O17
|
B:MO7531
|
3.0
|
55.1
|
0.5
|
MO1
|
C:MO7531
|
3.1
|
60.6
|
0.5
|
O14
|
C:MO7531
|
3.3
|
66.9
|
0.5
|
O19
|
C:MO7531
|
3.4
|
52.8
|
0.5
|
MO3
|
B:MO7531
|
3.5
|
94.8
|
0.5
|
O3
|
B:MO7531
|
3.8
|
72.4
|
0.5
|
O22
|
C:MO7531
|
4.0
|
62.2
|
0.5
|
N
|
C:GLU407
|
4.0
|
65.8
|
1.0
|
O18
|
B:MO7531
|
4.1
|
57.6
|
0.5
|
O10
|
B:MO7531
|
4.2
|
74.6
|
0.5
|
O11
|
C:MO7531
|
4.3
|
61.4
|
0.5
|
O17
|
C:MO7531
|
4.3
|
61.8
|
0.5
|
O20
|
B:MO7531
|
4.4
|
55.5
|
0.5
|
O12
|
C:MO7531
|
4.4
|
61.5
|
0.5
|
O5
|
B:MO7531
|
4.4
|
67.4
|
0.5
|
O4
|
C:MO7531
|
4.5
|
53.5
|
0.5
|
CB
|
C:GLU407
|
4.5
|
67.5
|
1.0
|
MO3
|
C:MO7531
|
4.5
|
84.0
|
0.5
|
O9
|
C:MO7531
|
4.5
|
67.5
|
0.5
|
CA
|
C:LYS406
|
4.6
|
64.1
|
1.0
|
MO7
|
C:MO7531
|
4.6
|
73.4
|
0.5
|
CB
|
C:LYS406
|
4.6
|
64.3
|
1.0
|
O4
|
B:MO7531
|
4.6
|
65.1
|
0.5
|
N
|
C:LYS408
|
4.6
|
63.4
|
1.0
|
C
|
C:LYS406
|
4.7
|
63.3
|
1.0
|
O9
|
B:MO7531
|
4.7
|
74.7
|
0.5
|
CA
|
C:GLU407
|
4.7
|
64.7
|
1.0
|
O2
|
C:MO7531
|
4.7
|
65.7
|
0.5
|
CG
|
C:LYS406
|
4.8
|
68.5
|
1.0
|
O11
|
B:MO7531
|
4.9
|
70.7
|
0.5
|
MO7
|
B:MO7531
|
4.9
|
52.5
|
0.5
|
|
Molybdenum binding site 10 out
of 28 in 3zx0
Go back to
Molybdenum Binding Sites List in 3zx0
Molybdenum binding site 10 out
of 28 in the NTPDASE1 in Complex with Heptamolybdate
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 10 of NTPDASE1 in Complex with Heptamolybdate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mo531
b:94.8
occ:0.50
|
MO3
|
B:MO7531
|
0.0
|
94.8
|
0.5
|
O5
|
C:MO7531
|
1.1
|
68.7
|
0.5
|
O11
|
B:MO7531
|
1.7
|
70.7
|
0.5
|
MO4
|
C:MO7531
|
1.7
|
79.4
|
0.5
|
O10
|
B:MO7531
|
1.7
|
74.6
|
0.5
|
O9
|
C:MO7531
|
1.9
|
67.5
|
0.5
|
O9
|
B:MO7531
|
1.9
|
74.7
|
0.5
|
O7
|
B:MO7531
|
2.0
|
78.9
|
0.5
|
O3
|
C:MO7531
|
2.1
|
67.0
|
0.5
|
O3
|
B:MO7531
|
2.2
|
72.4
|
0.5
|
O2
|
B:MO7531
|
2.2
|
70.2
|
0.5
|
O2
|
C:MO7531
|
2.5
|
65.7
|
0.5
|
MO1
|
C:MO7531
|
2.6
|
60.6
|
0.5
|
O12
|
C:MO7531
|
2.7
|
61.5
|
0.5
|
O20
|
C:MO7531
|
2.8
|
58.8
|
0.5
|
MO3
|
C:MO7531
|
2.9
|
84.0
|
0.5
|
MO7
|
C:MO7531
|
2.9
|
73.4
|
0.5
|
O13
|
C:MO7531
|
2.9
|
63.7
|
0.5
|
MO4
|
B:MO7531
|
3.0
|
88.3
|
0.5
|
MO5
|
C:MO7531
|
3.1
|
66.3
|
0.5
|
O1
|
C:MO7531
|
3.2
|
60.3
|
0.5
|
O17
|
C:MO7531
|
3.3
|
61.8
|
0.5
|
O14
|
C:MO7531
|
3.3
|
66.9
|
0.5
|
O14
|
B:MO7531
|
3.3
|
67.7
|
0.5
|
MO1
|
B:MO7531
|
3.3
|
77.4
|
0.5
|
MO6
|
C:MO7531
|
3.4
|
64.4
|
0.5
|
MO2
|
B:MO7531
|
3.5
|
70.9
|
0.5
|
O19
|
C:MO7531
|
3.5
|
52.8
|
0.5
|
O24
|
C:MO7531
|
3.6
|
53.5
|
0.5
|
O5
|
B:MO7531
|
3.6
|
67.4
|
0.5
|
O22
|
C:MO7531
|
3.7
|
62.2
|
0.5
|
O11
|
C:MO7531
|
3.8
|
61.4
|
0.5
|
O6
|
B:MO7531
|
4.0
|
57.0
|
0.5
|
O1
|
B:MO7531
|
4.1
|
64.2
|
0.5
|
O7
|
C:MO7531
|
4.1
|
70.6
|
0.5
|
O4
|
C:MO7531
|
4.2
|
53.5
|
0.5
|
O18
|
C:MO7531
|
4.4
|
51.7
|
0.5
|
O12
|
B:MO7531
|
4.4
|
83.0
|
0.5
|
O16
|
C:MO7531
|
4.4
|
58.1
|
0.5
|
MO6
|
B:MO7531
|
4.4
|
72.5
|
0.5
|
O10
|
C:MO7531
|
4.5
|
72.0
|
0.5
|
O4
|
B:MO7531
|
4.5
|
65.1
|
0.5
|
O15
|
C:MO7531
|
4.5
|
49.6
|
0.5
|
O23
|
C:MO7531
|
4.5
|
48.3
|
0.5
|
MO2
|
C:MO7531
|
4.6
|
73.0
|
0.5
|
O21
|
C:MO7531
|
4.6
|
47.5
|
0.5
|
O17
|
B:MO7531
|
4.6
|
55.1
|
0.5
|
O13
|
B:MO7531
|
4.6
|
66.4
|
0.5
|
O22
|
B:MO7531
|
4.7
|
47.1
|
0.5
|
O8
|
B:MO7531
|
4.7
|
56.7
|
0.5
|
O21
|
B:MO7531
|
4.7
|
53.1
|
0.5
|
O20
|
B:MO7531
|
4.8
|
55.5
|
0.5
|
|
Reference:
M.Zebisch,
M.Krauss,
P.Schafer,
N.Strater.
Crystallographic Evidence For A Domain Motion in Rat Nucleoside Triphosphate Diphosphohydrolase (Ntpdase) 1. J. Mol. Biol. V. 415 288 2012.
ISSN: ESSN 1089-8638
PubMed: 22100451
DOI: 10.1016/J.JMB.2011.10.050
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