Vanadium in PDB 4brh: Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate
Enzymatic activity of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate
All present enzymatic activity of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate:
3.6.1.5;
Protein crystallography data
The structure of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate, PDB code: 4brh
was solved by
M.Zebisch,
P.Schaefer,
P.Lauble,
N.Straeter,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.04 /
1.69
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
62.435,
85.759,
72.306,
90.00,
106.44,
90.00
|
R / Rfree (%)
|
15.9 /
19.2
|
Other elements in 4brh:
The structure of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate also contains other interesting chemical elements:
Vanadium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
22;
Binding sites:
The binding sites of Vanadium atom in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate
(pdb code 4brh). This binding sites where shown within
5.0 Angstroms radius around Vanadium atom.
In total 22 binding sites of Vanadium where determined in the
Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate, PDB code: 4brh:
Jump to Vanadium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Vanadium binding site 1 out
of 22 in 4brh
Go back to
Vanadium Binding Sites List in 4brh
Vanadium binding site 1 out
of 22 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate
Mono view
Stereo pair view
|
A full contact list of Vanadium with other atoms in the V binding
site number 1 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:V1395
b:10.5
occ:1.00
|
VB
|
A:TMV1395
|
0.0
|
10.5
|
1.0
|
O4B
|
A:TMV1395
|
1.7
|
11.6
|
1.0
|
O2B
|
A:TMV1395
|
1.7
|
10.9
|
1.0
|
O1B
|
A:TMV1395
|
1.9
|
9.9
|
1.0
|
O3A
|
A:TMV1395
|
1.9
|
10.7
|
1.0
|
O3B
|
A:TMV1395
|
2.1
|
12.1
|
1.0
|
PA
|
A:TMV1395
|
3.3
|
10.9
|
1.0
|
O1A
|
A:TMV1395
|
3.5
|
11.4
|
1.0
|
MG
|
A:MG1396
|
3.6
|
10.9
|
1.0
|
OG1
|
A:THR118
|
3.7
|
10.4
|
1.0
|
O
|
A:HOH2108
|
3.8
|
9.9
|
1.0
|
OG
|
A:SER52
|
3.9
|
11.3
|
1.0
|
N
|
A:GLY189
|
3.9
|
9.3
|
1.0
|
CB
|
A:ALA119
|
4.0
|
10.2
|
1.0
|
O
|
A:HOH2007
|
4.0
|
8.4
|
1.0
|
O7
|
A:TMV1395
|
4.0
|
11.2
|
0.3
|
N
|
A:SER52
|
4.0
|
11.0
|
1.0
|
OE2
|
A:GLU159
|
4.1
|
11.2
|
1.0
|
CA
|
A:GLY188
|
4.1
|
9.2
|
1.0
|
N
|
A:ALA119
|
4.1
|
9.7
|
1.0
|
O7
|
A:TMV1395
|
4.2
|
12.6
|
0.7
|
N
|
A:ALA190
|
4.2
|
9.4
|
1.0
|
OG
|
A:SER191
|
4.2
|
9.3
|
1.0
|
CB
|
A:SER52
|
4.3
|
11.8
|
1.0
|
O2A
|
A:TMV1395
|
4.4
|
10.9
|
1.0
|
N
|
A:SER191
|
4.4
|
9.1
|
1.0
|
C
|
A:GLY188
|
4.5
|
9.0
|
1.0
|
O
|
A:HOH2109
|
4.5
|
8.6
|
1.0
|
CB
|
A:THR118
|
4.5
|
9.5
|
1.0
|
O
|
A:SER191
|
4.6
|
10.0
|
1.0
|
CA
|
A:ALA119
|
4.6
|
10.0
|
1.0
|
CA
|
A:GLY51
|
4.7
|
11.0
|
1.0
|
O
|
A:HOH2117
|
4.8
|
11.2
|
1.0
|
CA
|
A:SER52
|
4.8
|
11.6
|
1.0
|
CA
|
A:GLY189
|
4.9
|
9.3
|
1.0
|
C
|
A:GLY51
|
4.9
|
11.3
|
1.0
|
|
Vanadium binding site 2 out
of 22 in 4brh
Go back to
Vanadium Binding Sites List in 4brh
Vanadium binding site 2 out
of 22 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate
Mono view
Stereo pair view
|
A full contact list of Vanadium with other atoms in the V binding
site number 2 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:V1398
b:39.2
occ:0.90
|
V10
|
A:DVT1398
|
0.0
|
39.2
|
0.9
|
O28
|
A:DVT1398
|
1.6
|
42.0
|
0.9
|
O15
|
A:DVT1398
|
1.9
|
38.6
|
0.9
|
O27
|
A:DVT1398
|
1.9
|
36.1
|
0.9
|
O18
|
A:DVT1398
|
1.9
|
39.7
|
0.9
|
O23
|
A:DVT1398
|
2.0
|
40.7
|
0.9
|
O2
|
A:DVT1398
|
2.4
|
36.4
|
0.9
|
V8
|
A:DVT1398
|
2.9
|
42.2
|
0.9
|
V1
|
A:DVT1398
|
3.1
|
36.4
|
0.9
|
V3
|
A:DVT1398
|
3.1
|
39.1
|
0.9
|
V9
|
A:DVT1398
|
3.2
|
34.1
|
0.9
|
O3
|
A:DVT1398
|
3.4
|
40.4
|
0.9
|
O17
|
A:DVT1398
|
3.5
|
44.9
|
0.9
|
O4
|
A:DVT1398
|
3.5
|
32.5
|
0.9
|
O24
|
A:DVT1398
|
3.5
|
39.5
|
0.9
|
CD
|
A:LYS82
|
3.8
|
31.1
|
1.0
|
O
|
A:HOH2022
|
4.0
|
37.1
|
1.0
|
O
|
A:HOH2021
|
4.2
|
21.8
|
1.0
|
O20
|
A:DVT1398
|
4.3
|
49.5
|
0.9
|
O5
|
A:DVT1398
|
4.4
|
37.1
|
0.9
|
V2
|
A:DVT1398
|
4.5
|
40.8
|
0.9
|
O26
|
A:DVT1398
|
4.5
|
34.5
|
0.9
|
O16
|
A:DVT1398
|
4.5
|
40.9
|
0.9
|
O10
|
A:DVT1398
|
4.5
|
40.4
|
0.9
|
CG
|
A:LYS82
|
4.5
|
24.8
|
1.0
|
O
|
A:HOH2020
|
4.6
|
29.3
|
1.0
|
CE
|
A:LYS82
|
4.6
|
32.8
|
1.0
|
O9
|
A:DVT1398
|
4.6
|
42.8
|
0.9
|
O1
|
A:DVT1398
|
4.6
|
39.4
|
0.9
|
NZ
|
A:LYS80
|
4.6
|
44.1
|
1.0
|
O8
|
A:DVT1398
|
4.6
|
35.8
|
0.9
|
NZ
|
A:LYS82
|
4.9
|
35.8
|
1.0
|
CD
|
A:LYS80
|
4.9
|
32.6
|
1.0
|
CB
|
A:LYS80
|
5.0
|
23.4
|
1.0
|
|
Vanadium binding site 3 out
of 22 in 4brh
Go back to
Vanadium Binding Sites List in 4brh
Vanadium binding site 3 out
of 22 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate
Mono view
Stereo pair view
|
A full contact list of Vanadium with other atoms in the V binding
site number 3 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:V1398
b:36.4
occ:0.90
|
V1
|
A:DVT1398
|
0.0
|
36.4
|
0.9
|
O5
|
A:DVT1398
|
1.6
|
37.1
|
0.9
|
O4
|
A:DVT1398
|
1.8
|
32.5
|
0.9
|
O15
|
A:DVT1398
|
1.8
|
38.6
|
0.9
|
O3
|
A:DVT1398
|
1.9
|
40.4
|
0.9
|
O1
|
A:DVT1398
|
2.1
|
39.4
|
0.9
|
O2
|
A:DVT1398
|
2.3
|
36.4
|
0.9
|
V9
|
A:DVT1398
|
3.1
|
34.1
|
0.9
|
V10
|
A:DVT1398
|
3.1
|
39.2
|
0.9
|
V2
|
A:DVT1398
|
3.1
|
40.8
|
0.9
|
V3
|
A:DVT1398
|
3.1
|
39.1
|
0.9
|
O27
|
A:DVT1398
|
3.4
|
36.1
|
0.9
|
O18
|
A:DVT1398
|
3.4
|
39.7
|
0.9
|
O8
|
A:DVT1398
|
3.6
|
35.8
|
0.9
|
O9
|
A:DVT1398
|
3.7
|
42.8
|
0.9
|
N4'
|
A:TMV1395
|
3.8
|
20.5
|
0.7
|
O
|
A:HOH2020
|
3.9
|
29.3
|
1.0
|
NZ
|
A:LYS82
|
3.9
|
35.8
|
1.0
|
C7'
|
A:TMV1395
|
4.1
|
8.9
|
0.3
|
CE
|
A:LYS82
|
4.2
|
32.8
|
1.0
|
C7'
|
A:TMV1395
|
4.2
|
18.1
|
0.7
|
V8
|
A:DVT1398
|
4.4
|
42.2
|
0.9
|
O10
|
A:DVT1398
|
4.4
|
40.4
|
0.9
|
CD
|
A:LYS82
|
4.4
|
31.1
|
1.0
|
O26
|
A:DVT1398
|
4.4
|
34.5
|
0.9
|
O28
|
A:DVT1398
|
4.4
|
42.0
|
0.9
|
O24
|
A:DVT1398
|
4.5
|
39.5
|
0.9
|
O17
|
A:DVT1398
|
4.5
|
44.9
|
0.9
|
O23
|
A:DVT1398
|
4.6
|
40.7
|
0.9
|
O16
|
A:DVT1398
|
4.6
|
40.9
|
0.9
|
OE1
|
A:GLU345
|
4.7
|
46.1
|
1.0
|
O7
|
A:DVT1398
|
4.7
|
45.5
|
0.9
|
N4'
|
A:TMV1395
|
4.7
|
7.8
|
0.3
|
O
|
A:HOH2022
|
4.8
|
37.1
|
1.0
|
C4'
|
A:TMV1395
|
4.8
|
17.9
|
0.7
|
N3
|
A:TMV1395
|
4.9
|
9.9
|
0.3
|
|
Vanadium binding site 4 out
of 22 in 4brh
Go back to
Vanadium Binding Sites List in 4brh
Vanadium binding site 4 out
of 22 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate
Mono view
Stereo pair view
|
A full contact list of Vanadium with other atoms in the V binding
site number 4 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:V1398
b:34.1
occ:0.90
|
V9
|
A:DVT1398
|
0.0
|
34.1
|
0.9
|
O26
|
A:DVT1398
|
1.6
|
34.5
|
0.9
|
O4
|
A:DVT1398
|
1.8
|
32.5
|
0.9
|
O27
|
A:DVT1398
|
1.8
|
36.1
|
0.9
|
O24
|
A:DVT1398
|
2.0
|
39.5
|
0.9
|
O8
|
A:DVT1398
|
2.0
|
35.8
|
0.9
|
O2
|
A:DVT1398
|
2.2
|
36.4
|
0.9
|
V7
|
A:DVT1398
|
3.0
|
44.1
|
0.9
|
V1
|
A:DVT1398
|
3.1
|
36.4
|
0.9
|
V2
|
A:DVT1398
|
3.1
|
40.8
|
0.9
|
V8
|
A:DVT1398
|
3.2
|
42.2
|
0.9
|
V10
|
A:DVT1398
|
3.2
|
39.2
|
0.9
|
O25
|
A:DVT1398
|
3.3
|
45.7
|
0.9
|
O15
|
A:DVT1398
|
3.4
|
38.6
|
0.9
|
O1
|
A:DVT1398
|
3.5
|
39.4
|
0.9
|
O23
|
A:DVT1398
|
3.5
|
40.7
|
0.9
|
O16
|
A:DVT1398
|
3.6
|
40.9
|
0.9
|
O
|
A:HOH2022
|
3.8
|
37.1
|
1.0
|
ND2
|
A:ASN302
|
4.1
|
18.0
|
1.0
|
C2
|
A:TMV1395
|
4.2
|
10.6
|
0.3
|
CM4
|
A:TMV1395
|
4.2
|
18.0
|
0.7
|
N4'
|
A:TMV1395
|
4.2
|
20.5
|
0.7
|
C7'
|
A:TMV1395
|
4.2
|
8.9
|
0.3
|
NZ
|
A:LYS80
|
4.3
|
44.1
|
1.0
|
O21
|
A:DVT1398
|
4.3
|
47.9
|
0.9
|
O5
|
A:DVT1398
|
4.4
|
37.1
|
0.9
|
O11
|
A:DVT1398
|
4.4
|
46.8
|
0.9
|
O3
|
A:DVT1398
|
4.4
|
40.4
|
0.9
|
V3
|
A:DVT1398
|
4.4
|
39.1
|
0.9
|
O18
|
A:DVT1398
|
4.5
|
39.7
|
0.9
|
N3
|
A:TMV1395
|
4.5
|
9.9
|
0.3
|
O7
|
A:DVT1398
|
4.5
|
45.5
|
0.9
|
O20
|
A:DVT1398
|
4.5
|
49.5
|
0.9
|
O28
|
A:DVT1398
|
4.6
|
42.0
|
0.9
|
O9
|
A:DVT1398
|
4.6
|
42.8
|
0.9
|
O17
|
A:DVT1398
|
4.6
|
44.9
|
0.9
|
O
|
A:HOH2020
|
4.6
|
29.3
|
1.0
|
C7'
|
A:TMV1395
|
5.0
|
18.1
|
0.7
|
|
Vanadium binding site 5 out
of 22 in 4brh
Go back to
Vanadium Binding Sites List in 4brh
Vanadium binding site 5 out
of 22 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate
Mono view
Stereo pair view
|
A full contact list of Vanadium with other atoms in the V binding
site number 5 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:V1398
b:44.1
occ:0.90
|
V7
|
A:DVT1398
|
0.0
|
44.1
|
0.9
|
O25
|
A:DVT1398
|
1.6
|
45.7
|
0.9
|
O11
|
A:DVT1398
|
1.8
|
46.8
|
0.9
|
O21
|
A:DVT1398
|
1.9
|
47.9
|
0.9
|
O8
|
A:DVT1398
|
2.0
|
35.8
|
0.9
|
O24
|
A:DVT1398
|
2.0
|
39.5
|
0.9
|
O16
|
A:DVT1398
|
2.2
|
40.9
|
0.9
|
V9
|
A:DVT1398
|
3.0
|
34.1
|
0.9
|
V2
|
A:DVT1398
|
3.1
|
40.8
|
0.9
|
V5
|
A:DVT1398
|
3.1
|
52.0
|
0.9
|
V8
|
A:DVT1398
|
3.1
|
42.2
|
0.9
|
V6
|
A:DVT1398
|
3.2
|
49.7
|
0.9
|
O26
|
A:DVT1398
|
3.3
|
34.5
|
0.9
|
O6
|
A:DVT1398
|
3.4
|
48.0
|
0.9
|
O7
|
A:DVT1398
|
3.4
|
45.5
|
0.9
|
O2
|
A:DVT1398
|
3.5
|
36.4
|
0.9
|
O20
|
A:DVT1398
|
3.7
|
49.5
|
0.9
|
ND2
|
A:ASN302
|
4.1
|
18.0
|
1.0
|
O27
|
A:DVT1398
|
4.3
|
36.1
|
0.9
|
O4
|
A:DVT1398
|
4.4
|
32.5
|
0.9
|
O14
|
A:DVT1398
|
4.4
|
51.4
|
0.9
|
O23
|
A:DVT1398
|
4.4
|
40.7
|
0.9
|
O9
|
A:DVT1398
|
4.5
|
42.8
|
0.9
|
O13
|
A:DVT1398
|
4.5
|
48.5
|
0.9
|
V4
|
A:DVT1398
|
4.5
|
46.1
|
0.9
|
O1
|
A:DVT1398
|
4.5
|
39.4
|
0.9
|
NZ
|
A:LYS80
|
4.5
|
44.1
|
1.0
|
O22
|
A:DVT1398
|
4.5
|
50.0
|
0.9
|
O17
|
A:DVT1398
|
4.6
|
44.9
|
0.9
|
O19
|
A:DVT1398
|
4.6
|
48.6
|
0.9
|
CB
|
A:PRO378
|
5.0
|
32.0
|
1.0
|
|
Vanadium binding site 6 out
of 22 in 4brh
Go back to
Vanadium Binding Sites List in 4brh
Vanadium binding site 6 out
of 22 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate
Mono view
Stereo pair view
|
A full contact list of Vanadium with other atoms in the V binding
site number 6 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:V1398
b:49.7
occ:0.90
|
V6
|
A:DVT1398
|
0.0
|
49.7
|
0.9
|
O22
|
A:DVT1398
|
1.6
|
50.0
|
0.9
|
O6
|
A:DVT1398
|
1.8
|
48.0
|
0.9
|
O19
|
A:DVT1398
|
1.9
|
48.6
|
0.9
|
O21
|
A:DVT1398
|
1.9
|
47.9
|
0.9
|
O20
|
A:DVT1398
|
2.0
|
49.5
|
0.9
|
O16
|
A:DVT1398
|
2.3
|
40.9
|
0.9
|
V8
|
A:DVT1398
|
2.9
|
42.2
|
0.9
|
V4
|
A:DVT1398
|
3.1
|
46.1
|
0.9
|
V5
|
A:DVT1398
|
3.2
|
52.0
|
0.9
|
V7
|
A:DVT1398
|
3.2
|
44.1
|
0.9
|
O17
|
A:DVT1398
|
3.4
|
44.9
|
0.9
|
O13
|
A:DVT1398
|
3.5
|
48.5
|
0.9
|
O24
|
A:DVT1398
|
3.6
|
39.5
|
0.9
|
O11
|
A:DVT1398
|
3.6
|
46.8
|
0.9
|
O23
|
A:DVT1398
|
4.3
|
40.7
|
0.9
|
O12
|
A:DVT1398
|
4.4
|
47.0
|
0.9
|
O9
|
A:DVT1398
|
4.5
|
42.8
|
0.9
|
O14
|
A:DVT1398
|
4.5
|
51.4
|
0.9
|
V2
|
A:DVT1398
|
4.5
|
40.8
|
0.9
|
O2
|
A:DVT1398
|
4.5
|
36.4
|
0.9
|
O25
|
A:DVT1398
|
4.5
|
45.7
|
0.9
|
O7
|
A:DVT1398
|
4.6
|
45.5
|
0.9
|
O8
|
A:DVT1398
|
4.7
|
35.8
|
0.9
|
|
Vanadium binding site 7 out
of 22 in 4brh
Go back to
Vanadium Binding Sites List in 4brh
Vanadium binding site 7 out
of 22 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate
Mono view
Stereo pair view
|
A full contact list of Vanadium with other atoms in the V binding
site number 7 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:V1398
b:42.2
occ:0.90
|
V8
|
A:DVT1398
|
0.0
|
42.2
|
0.9
|
O23
|
A:DVT1398
|
1.6
|
40.7
|
0.9
|
O20
|
A:DVT1398
|
1.7
|
49.5
|
0.9
|
O24
|
A:DVT1398
|
1.9
|
39.5
|
0.9
|
O17
|
A:DVT1398
|
1.9
|
44.9
|
0.9
|
O16
|
A:DVT1398
|
2.1
|
40.9
|
0.9
|
O2
|
A:DVT1398
|
2.1
|
36.4
|
0.9
|
V6
|
A:DVT1398
|
2.9
|
49.7
|
0.9
|
V10
|
A:DVT1398
|
2.9
|
39.2
|
0.9
|
O21
|
A:DVT1398
|
3.0
|
47.9
|
0.9
|
O27
|
A:DVT1398
|
3.1
|
36.1
|
0.9
|
V3
|
A:DVT1398
|
3.1
|
39.1
|
0.9
|
V7
|
A:DVT1398
|
3.1
|
44.1
|
0.9
|
O18
|
A:DVT1398
|
3.2
|
39.7
|
0.9
|
V9
|
A:DVT1398
|
3.2
|
34.1
|
0.9
|
V4
|
A:DVT1398
|
3.2
|
46.1
|
0.9
|
O19
|
A:DVT1398
|
3.2
|
48.6
|
0.9
|
V2
|
A:DVT1398
|
3.4
|
40.8
|
0.9
|
O9
|
A:DVT1398
|
3.5
|
42.8
|
0.9
|
O8
|
A:DVT1398
|
3.6
|
35.8
|
0.9
|
NZ
|
A:LYS80
|
3.8
|
44.1
|
1.0
|
O28
|
A:DVT1398
|
4.1
|
42.0
|
0.9
|
O22
|
A:DVT1398
|
4.1
|
50.0
|
0.9
|
O6
|
A:DVT1398
|
4.2
|
48.0
|
0.9
|
O15
|
A:DVT1398
|
4.3
|
38.6
|
0.9
|
O26
|
A:DVT1398
|
4.4
|
34.5
|
0.9
|
V1
|
A:DVT1398
|
4.4
|
36.4
|
0.9
|
O11
|
A:DVT1398
|
4.4
|
46.8
|
0.9
|
O4
|
A:DVT1398
|
4.4
|
32.5
|
0.9
|
V5
|
A:DVT1398
|
4.4
|
52.0
|
0.9
|
O12
|
A:DVT1398
|
4.4
|
47.0
|
0.9
|
O25
|
A:DVT1398
|
4.4
|
45.7
|
0.9
|
O3
|
A:DVT1398
|
4.4
|
40.4
|
0.9
|
O13
|
A:DVT1398
|
4.4
|
48.5
|
0.9
|
O10
|
A:DVT1398
|
4.5
|
40.4
|
0.9
|
O7
|
A:DVT1398
|
4.5
|
45.5
|
0.9
|
CD
|
A:LYS80
|
4.6
|
32.6
|
1.0
|
O1
|
A:DVT1398
|
4.6
|
39.4
|
0.9
|
CE
|
A:LYS80
|
4.8
|
39.1
|
1.0
|
|
Vanadium binding site 8 out
of 22 in 4brh
Go back to
Vanadium Binding Sites List in 4brh
Vanadium binding site 8 out
of 22 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate
Mono view
Stereo pair view
|
A full contact list of Vanadium with other atoms in the V binding
site number 8 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:V1398
b:52.0
occ:0.90
|
V5
|
A:DVT1398
|
0.0
|
52.0
|
0.9
|
O14
|
A:DVT1398
|
1.6
|
51.4
|
0.9
|
O6
|
A:DVT1398
|
1.9
|
48.0
|
0.9
|
O11
|
A:DVT1398
|
1.9
|
46.8
|
0.9
|
O13
|
A:DVT1398
|
1.9
|
48.5
|
0.9
|
O7
|
A:DVT1398
|
2.0
|
45.5
|
0.9
|
O16
|
A:DVT1398
|
2.3
|
40.9
|
0.9
|
V4
|
A:DVT1398
|
3.1
|
46.1
|
0.9
|
V2
|
A:DVT1398
|
3.1
|
40.8
|
0.9
|
V7
|
A:DVT1398
|
3.1
|
44.1
|
0.9
|
V6
|
A:DVT1398
|
3.2
|
49.7
|
0.9
|
O21
|
A:DVT1398
|
3.5
|
47.9
|
0.9
|
O9
|
A:DVT1398
|
3.5
|
42.8
|
0.9
|
O19
|
A:DVT1398
|
3.5
|
48.6
|
0.9
|
O8
|
A:DVT1398
|
3.7
|
35.8
|
0.9
|
V8
|
A:DVT1398
|
4.4
|
42.2
|
0.9
|
O25
|
A:DVT1398
|
4.5
|
45.7
|
0.9
|
O22
|
A:DVT1398
|
4.5
|
50.0
|
0.9
|
O12
|
A:DVT1398
|
4.5
|
47.0
|
0.9
|
O17
|
A:DVT1398
|
4.5
|
44.9
|
0.9
|
O24
|
A:DVT1398
|
4.6
|
39.5
|
0.9
|
O2
|
A:DVT1398
|
4.6
|
36.4
|
0.9
|
O1
|
A:DVT1398
|
4.7
|
39.4
|
0.9
|
O20
|
A:DVT1398
|
4.7
|
49.5
|
0.9
|
|
Vanadium binding site 9 out
of 22 in 4brh
Go back to
Vanadium Binding Sites List in 4brh
Vanadium binding site 9 out
of 22 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate
Mono view
Stereo pair view
|
A full contact list of Vanadium with other atoms in the V binding
site number 9 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:V1398
b:40.8
occ:0.90
|
V2
|
A:DVT1398
|
0.0
|
40.8
|
0.9
|
O7
|
A:DVT1398
|
1.7
|
45.5
|
0.9
|
O1
|
A:DVT1398
|
1.7
|
39.4
|
0.9
|
O8
|
A:DVT1398
|
1.9
|
35.8
|
0.9
|
O9
|
A:DVT1398
|
1.9
|
42.8
|
0.9
|
O2
|
A:DVT1398
|
2.1
|
36.4
|
0.9
|
O16
|
A:DVT1398
|
2.2
|
40.9
|
0.9
|
V1
|
A:DVT1398
|
3.1
|
36.4
|
0.9
|
V5
|
A:DVT1398
|
3.1
|
52.0
|
0.9
|
V7
|
A:DVT1398
|
3.1
|
44.1
|
0.9
|
V3
|
A:DVT1398
|
3.1
|
39.1
|
0.9
|
V9
|
A:DVT1398
|
3.1
|
34.1
|
0.9
|
O11
|
A:DVT1398
|
3.2
|
46.8
|
0.9
|
O4
|
A:DVT1398
|
3.3
|
32.5
|
0.9
|
V4
|
A:DVT1398
|
3.3
|
46.1
|
0.9
|
O3
|
A:DVT1398
|
3.3
|
40.4
|
0.9
|
O13
|
A:DVT1398
|
3.4
|
48.5
|
0.9
|
V8
|
A:DVT1398
|
3.4
|
42.2
|
0.9
|
O24
|
A:DVT1398
|
3.5
|
39.5
|
0.9
|
O17
|
A:DVT1398
|
3.6
|
44.9
|
0.9
|
N4'
|
A:TMV1395
|
3.9
|
20.5
|
0.7
|
O10
|
A:DVT1398
|
4.3
|
40.4
|
0.9
|
O14
|
A:DVT1398
|
4.3
|
51.4
|
0.9
|
O21
|
A:DVT1398
|
4.4
|
47.9
|
0.9
|
O5
|
A:DVT1398
|
4.4
|
37.1
|
0.9
|
O25
|
A:DVT1398
|
4.4
|
45.7
|
0.9
|
O26
|
A:DVT1398
|
4.4
|
34.5
|
0.9
|
O18
|
A:DVT1398
|
4.4
|
39.7
|
0.9
|
O6
|
A:DVT1398
|
4.4
|
48.0
|
0.9
|
O27
|
A:DVT1398
|
4.4
|
36.1
|
0.9
|
O15
|
A:DVT1398
|
4.4
|
38.6
|
0.9
|
V10
|
A:DVT1398
|
4.5
|
39.2
|
0.9
|
N4'
|
A:TMV1395
|
4.5
|
7.8
|
0.3
|
V6
|
A:DVT1398
|
4.5
|
49.7
|
0.9
|
O12
|
A:DVT1398
|
4.5
|
47.0
|
0.9
|
O19
|
A:DVT1398
|
4.6
|
48.6
|
0.9
|
O23
|
A:DVT1398
|
4.6
|
40.7
|
0.9
|
O20
|
A:DVT1398
|
4.7
|
49.5
|
0.9
|
ND2
|
A:ASN302
|
4.9
|
18.0
|
1.0
|
|
Vanadium binding site 10 out
of 22 in 4brh
Go back to
Vanadium Binding Sites List in 4brh
Vanadium binding site 10 out
of 22 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate
Mono view
Stereo pair view
|
A full contact list of Vanadium with other atoms in the V binding
site number 10 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with Mg and Thiamine Phosphovanadate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:V1398
b:46.1
occ:0.90
|
V4
|
A:DVT1398
|
0.0
|
46.1
|
0.9
|
O12
|
A:DVT1398
|
1.6
|
47.0
|
0.9
|
O13
|
A:DVT1398
|
1.8
|
48.5
|
0.9
|
O19
|
A:DVT1398
|
1.8
|
48.6
|
0.9
|
O17
|
A:DVT1398
|
2.0
|
44.9
|
0.9
|
O9
|
A:DVT1398
|
2.0
|
42.8
|
0.9
|
O16
|
A:DVT1398
|
2.3
|
40.9
|
0.9
|
V3
|
A:DVT1398
|
2.9
|
39.1
|
0.9
|
V6
|
A:DVT1398
|
3.1
|
49.7
|
0.9
|
V5
|
A:DVT1398
|
3.1
|
52.0
|
0.9
|
V8
|
A:DVT1398
|
3.2
|
42.2
|
0.9
|
O10
|
A:DVT1398
|
3.2
|
40.4
|
0.9
|
O6
|
A:DVT1398
|
3.2
|
48.0
|
0.9
|
V2
|
A:DVT1398
|
3.3
|
40.8
|
0.9
|
O7
|
A:DVT1398
|
3.5
|
45.5
|
0.9
|
O2
|
A:DVT1398
|
3.6
|
36.4
|
0.9
|
O20
|
A:DVT1398
|
3.6
|
49.5
|
0.9
|
O18
|
A:DVT1398
|
4.2
|
39.7
|
0.9
|
O22
|
A:DVT1398
|
4.3
|
50.0
|
0.9
|
O21
|
A:DVT1398
|
4.4
|
47.9
|
0.9
|
O14
|
A:DVT1398
|
4.4
|
51.4
|
0.9
|
O11
|
A:DVT1398
|
4.4
|
46.8
|
0.9
|
O3
|
A:DVT1398
|
4.4
|
40.4
|
0.9
|
V7
|
A:DVT1398
|
4.5
|
44.1
|
0.9
|
O23
|
A:DVT1398
|
4.5
|
40.7
|
0.9
|
O1
|
A:DVT1398
|
4.6
|
39.4
|
0.9
|
O24
|
A:DVT1398
|
4.6
|
39.5
|
0.9
|
O8
|
A:DVT1398
|
4.7
|
35.8
|
0.9
|
|
Reference:
M.Zebisch,
M.Krauss,
P.Schafer,
P.Lauble,
N.Strater.
Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases. Structure V. 21 1460 2013.
ISSN: ISSN 1878-4186
PubMed: 23830739
DOI: 10.1016/J.STR.2013.05.016
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