Tungsten in PDB 6rug: Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr
Enzymatic activity of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr
All present enzymatic activity of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr:
3.4.21.64;
Protein crystallography data
The structure of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr, PDB code: 6rug
was solved by
J.Breibeck,
A.Bijelic,
A.Rompel,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
35.00 /
1.10
|
Space group
|
P 43 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
67.860,
67.860,
102.300,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
14.4 /
15.5
|
Other elements in 6rug:
The structure of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr also contains other interesting chemical elements:
Tungsten Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
22;
Binding sites:
The binding sites of Tungsten atom in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr
(pdb code 6rug). This binding sites where shown within
5.0 Angstroms radius around Tungsten atom.
In total 22 binding sites of Tungsten where determined in the
Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr, PDB code: 6rug:
Jump to Tungsten binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Tungsten binding site 1 out
of 22 in 6rug
Go back to
Tungsten Binding Sites List in 6rug
Tungsten binding site 1 out
of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr
 Mono view
 Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 1 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W301
b:9.6
occ:0.88
|
W12
|
A:WCO301
|
0.0
|
9.6
|
0.9
|
O75
|
A:WCO301
|
1.7
|
10.1
|
0.9
|
O40
|
A:WCO301
|
1.7
|
9.8
|
0.9
|
O41
|
A:WCO301
|
1.9
|
9.9
|
0.9
|
O46
|
A:WCO301
|
1.9
|
9.7
|
0.9
|
O43
|
A:WCO301
|
2.1
|
9.7
|
0.9
|
O59
|
A:WCO301
|
2.4
|
9.5
|
0.9
|
H
|
A:MET55
|
3.4
|
9.7
|
1.0
|
W19
|
A:WCO301
|
3.4
|
9.8
|
0.9
|
W14
|
A:WCO301
|
3.5
|
10.2
|
0.9
|
HB2
|
A:ALA44
|
3.5
|
9.3
|
1.0
|
P2
|
A:WCO301
|
3.5
|
8.5
|
0.9
|
O76
|
A:WCO301
|
3.6
|
9.3
|
0.9
|
CO1
|
A:WCO301
|
3.6
|
8.4
|
0.9
|
W13
|
A:WCO301
|
3.6
|
9.9
|
0.9
|
O47
|
A:WCO301
|
3.7
|
10.8
|
0.9
|
O57
|
A:WCO301
|
3.8
|
9.4
|
0.9
|
O49
|
A:WCO301
|
3.8
|
9.2
|
0.9
|
HB2
|
A:MET55
|
3.8
|
10.3
|
1.0
|
O60
|
A:WCO301
|
3.9
|
9.2
|
0.9
|
O61
|
A:WCO301
|
3.9
|
8.7
|
0.9
|
HG2
|
A:MET55
|
3.9
|
10.3
|
1.0
|
O
|
A:HOH571
|
3.9
|
21.1
|
1.0
|
HA
|
A:GLN54
|
4.0
|
10.6
|
1.0
|
N
|
A:MET55
|
4.3
|
8.1
|
1.0
|
CB
|
A:ALA44
|
4.3
|
7.7
|
1.0
|
HB1
|
A:ALA44
|
4.3
|
9.3
|
1.0
|
O44
|
A:WCO301
|
4.4
|
10.5
|
0.9
|
O78
|
A:WCO301
|
4.4
|
9.5
|
0.9
|
CB
|
A:MET55
|
4.5
|
8.6
|
1.0
|
CG
|
A:MET55
|
4.5
|
8.6
|
1.0
|
HB3
|
A:ALA44
|
4.6
|
9.3
|
1.0
|
HG3
|
A:MET55
|
4.6
|
10.3
|
1.0
|
O42
|
A:WCO301
|
4.6
|
9.8
|
0.9
|
O
|
A:HOH646
|
4.7
|
11.4
|
1.0
|
O58
|
A:WCO301
|
4.7
|
10.6
|
0.9
|
HB2
|
A:GLN54
|
4.8
|
13.2
|
1.0
|
O48
|
A:WCO301
|
4.8
|
11.1
|
0.9
|
O68
|
A:WCO301
|
4.9
|
9.1
|
0.9
|
CA
|
A:GLN54
|
4.9
|
8.8
|
1.0
|
O63
|
A:WCO301
|
4.9
|
10.0
|
0.9
|
O62
|
A:WCO301
|
4.9
|
9.4
|
0.9
|
O
|
A:HOH414
|
4.9
|
11.7
|
1.0
|
W18
|
A:WCO301
|
4.9
|
9.3
|
0.9
|
O
|
A:HOH478
|
5.0
|
9.2
|
1.0
|
|
Tungsten binding site 2 out
of 22 in 6rug
Go back to
Tungsten Binding Sites List in 6rug
Tungsten binding site 2 out
of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr
 Mono view
 Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 2 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W301
b:9.9
occ:0.88
|
W13
|
A:WCO301
|
0.0
|
9.9
|
0.9
|
O76
|
A:WCO301
|
1.7
|
9.3
|
0.9
|
O42
|
A:WCO301
|
1.7
|
9.8
|
0.9
|
O41
|
A:WCO301
|
1.9
|
9.9
|
0.9
|
O45
|
A:WCO301
|
2.0
|
9.4
|
0.9
|
O44
|
A:WCO301
|
2.1
|
10.5
|
0.9
|
O60
|
A:WCO301
|
2.4
|
9.2
|
0.9
|
HB2
|
A:SER63
|
3.4
|
11.6
|
1.0
|
W16
|
A:WCO301
|
3.5
|
10.6
|
0.9
|
W15
|
A:WCO301
|
3.5
|
10.7
|
0.9
|
P2
|
A:WCO301
|
3.6
|
8.5
|
0.9
|
CO1
|
A:WCO301
|
3.6
|
8.4
|
0.9
|
W12
|
A:WCO301
|
3.6
|
9.6
|
0.9
|
O75
|
A:WCO301
|
3.7
|
10.1
|
0.9
|
O51
|
A:WCO301
|
3.7
|
11.1
|
0.9
|
O49
|
A:WCO301
|
3.8
|
9.2
|
0.9
|
O53
|
A:WCO301
|
3.9
|
10.4
|
0.9
|
O
|
A:HOH611
|
3.9
|
31.8
|
1.0
|
O61
|
A:WCO301
|
3.9
|
8.7
|
0.9
|
O59
|
A:WCO301
|
3.9
|
9.5
|
0.9
|
O
|
A:HOH514
|
4.0
|
13.4
|
1.0
|
HB2
|
A:MET55
|
4.1
|
10.3
|
1.0
|
CB
|
A:SER63
|
4.2
|
9.7
|
1.0
|
HB3
|
A:SER63
|
4.4
|
11.6
|
1.0
|
O43
|
A:WCO301
|
4.4
|
9.7
|
0.9
|
O77
|
A:WCO301
|
4.4
|
9.5
|
0.9
|
HG3
|
A:MET55
|
4.5
|
10.3
|
1.0
|
O40
|
A:WCO301
|
4.6
|
9.8
|
0.9
|
O52
|
A:WCO301
|
4.7
|
11.8
|
0.9
|
HG
|
A:SER63
|
4.8
|
13.7
|
1.0
|
OG
|
A:SER63
|
4.8
|
11.4
|
1.0
|
O50
|
A:WCO301
|
4.8
|
10.9
|
0.9
|
O65
|
A:WCO301
|
4.9
|
10.3
|
0.9
|
CB
|
A:MET55
|
4.9
|
8.6
|
1.0
|
O
|
A:HOH456
|
4.9
|
17.8
|
1.0
|
O62
|
A:WCO301
|
5.0
|
9.4
|
0.9
|
O64
|
A:WCO301
|
5.0
|
10.0
|
0.9
|
O
|
A:HOH478
|
5.0
|
9.2
|
1.0
|
H
|
A:SER63
|
5.0
|
10.4
|
1.0
|
W17
|
A:WCO301
|
5.0
|
9.9
|
0.9
|
|
Tungsten binding site 3 out
of 22 in 6rug
Go back to
Tungsten Binding Sites List in 6rug
Tungsten binding site 3 out
of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr
 Mono view
 Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 3 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W301
b:10.2
occ:0.88
|
W14
|
A:WCO301
|
0.0
|
10.2
|
0.9
|
O48
|
A:WCO301
|
1.7
|
11.1
|
0.9
|
O43
|
A:WCO301
|
1.8
|
9.7
|
0.9
|
O63
|
A:WCO301
|
1.9
|
10.0
|
0.9
|
O49
|
A:WCO301
|
1.9
|
9.2
|
0.9
|
O47
|
A:WCO301
|
1.9
|
10.8
|
0.9
|
O59
|
A:WCO301
|
2.5
|
9.5
|
0.9
|
O
|
A:HOH403
|
3.1
|
16.9
|
1.0
|
W19
|
A:WCO301
|
3.4
|
9.8
|
0.9
|
W12
|
A:WCO301
|
3.5
|
9.6
|
0.9
|
O46
|
A:WCO301
|
3.5
|
9.7
|
0.9
|
P2
|
A:WCO301
|
3.6
|
8.5
|
0.9
|
O64
|
A:WCO301
|
3.6
|
10.0
|
0.9
|
W20
|
A:WCO301
|
3.7
|
10.3
|
0.9
|
W15
|
A:WCO301
|
3.7
|
10.7
|
0.9
|
O41
|
A:WCO301
|
3.8
|
9.9
|
0.9
|
O
|
A:HOH646
|
3.8
|
11.4
|
1.0
|
O68
|
A:WCO301
|
3.8
|
9.1
|
0.9
|
O60
|
A:WCO301
|
3.9
|
9.2
|
0.9
|
O62
|
A:WCO301
|
3.9
|
9.4
|
0.9
|
O69
|
A:WCO301
|
4.3
|
9.9
|
0.9
|
O44
|
A:WCO301
|
4.3
|
10.5
|
0.9
|
O
|
A:HOH592
|
4.5
|
10.5
|
1.0
|
O
|
A:HOH414
|
4.5
|
11.7
|
1.0
|
O70
|
A:WCO301
|
4.6
|
10.4
|
0.9
|
O50
|
A:WCO301
|
4.6
|
10.9
|
0.9
|
O
|
A:HOH571
|
4.6
|
21.1
|
1.0
|
O40
|
A:WCO301
|
4.6
|
9.8
|
0.9
|
O
|
A:HOH402
|
4.6
|
10.1
|
1.0
|
O
|
A:HOH674
|
4.7
|
10.4
|
1.0
|
O58
|
A:WCO301
|
4.7
|
10.6
|
0.9
|
O75
|
A:WCO301
|
4.8
|
10.1
|
0.9
|
O57
|
A:WCO301
|
4.8
|
9.4
|
0.9
|
O61
|
A:WCO301
|
5.0
|
8.7
|
0.9
|
|
Tungsten binding site 4 out
of 22 in 6rug
Go back to
Tungsten Binding Sites List in 6rug
Tungsten binding site 4 out
of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr
 Mono view
 Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 4 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W301
b:10.7
occ:0.88
|
W15
|
A:WCO301
|
0.0
|
10.7
|
0.9
|
O50
|
A:WCO301
|
1.7
|
10.9
|
0.9
|
O44
|
A:WCO301
|
1.9
|
10.5
|
0.9
|
O51
|
A:WCO301
|
1.9
|
11.1
|
0.9
|
O49
|
A:WCO301
|
1.9
|
9.2
|
0.9
|
O64
|
A:WCO301
|
1.9
|
10.0
|
0.9
|
O60
|
A:WCO301
|
2.5
|
9.2
|
0.9
|
W16
|
A:WCO301
|
3.4
|
10.6
|
0.9
|
W13
|
A:WCO301
|
3.5
|
9.9
|
0.9
|
O45
|
A:WCO301
|
3.6
|
9.4
|
0.9
|
O
|
A:HOH403
|
3.6
|
16.9
|
1.0
|
P2
|
A:WCO301
|
3.6
|
8.5
|
0.9
|
O63
|
A:WCO301
|
3.7
|
10.0
|
0.9
|
W14
|
A:WCO301
|
3.7
|
10.2
|
0.9
|
W20
|
A:WCO301
|
3.7
|
10.3
|
0.9
|
O41
|
A:WCO301
|
3.8
|
9.9
|
0.9
|
O65
|
A:WCO301
|
3.8
|
10.3
|
0.9
|
O
|
A:HOH611
|
3.9
|
31.8
|
1.0
|
O62
|
A:WCO301
|
3.9
|
9.4
|
0.9
|
O59
|
A:WCO301
|
4.0
|
9.5
|
0.9
|
O43
|
A:WCO301
|
4.3
|
9.7
|
0.9
|
O71
|
A:WCO301
|
4.4
|
10.5
|
0.9
|
O48
|
A:WCO301
|
4.6
|
11.1
|
0.9
|
O70
|
A:WCO301
|
4.7
|
10.4
|
0.9
|
O52
|
A:WCO301
|
4.7
|
11.8
|
0.9
|
O42
|
A:WCO301
|
4.7
|
9.8
|
0.9
|
O76
|
A:WCO301
|
4.8
|
9.3
|
0.9
|
O53
|
A:WCO301
|
4.8
|
10.4
|
0.9
|
O61
|
A:WCO301
|
5.0
|
8.7
|
0.9
|
|
Tungsten binding site 5 out
of 22 in 6rug
Go back to
Tungsten Binding Sites List in 6rug
Tungsten binding site 5 out
of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr
 Mono view
 Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 5 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W301
b:10.6
occ:0.88
|
W16
|
A:WCO301
|
0.0
|
10.6
|
0.9
|
O52
|
A:WCO301
|
1.7
|
11.8
|
0.9
|
O53
|
A:WCO301
|
1.9
|
10.4
|
0.9
|
O65
|
A:WCO301
|
1.9
|
10.3
|
0.9
|
O51
|
A:WCO301
|
2.0
|
11.1
|
0.9
|
O45
|
A:WCO301
|
2.0
|
9.4
|
0.9
|
O60
|
A:WCO301
|
2.4
|
9.2
|
0.9
|
W15
|
A:WCO301
|
3.4
|
10.7
|
0.9
|
W13
|
A:WCO301
|
3.5
|
9.9
|
0.9
|
P2
|
A:WCO301
|
3.5
|
8.5
|
0.9
|
O44
|
A:WCO301
|
3.6
|
10.5
|
0.9
|
O66
|
A:WCO301
|
3.6
|
10.0
|
0.9
|
W21
|
A:WCO301
|
3.7
|
10.5
|
0.9
|
W17
|
A:WCO301
|
3.7
|
9.9
|
0.9
|
O76
|
A:WCO301
|
3.8
|
9.3
|
0.9
|
O64
|
A:WCO301
|
3.9
|
10.0
|
0.9
|
O62
|
A:WCO301
|
3.9
|
9.4
|
0.9
|
O61
|
A:WCO301
|
3.9
|
8.7
|
0.9
|
O
|
A:HOH636
|
4.0
|
28.4
|
1.0
|
O
|
A:HOH514
|
4.0
|
13.4
|
1.0
|
O77
|
A:WCO301
|
4.4
|
9.5
|
0.9
|
O71
|
A:WCO301
|
4.4
|
10.5
|
0.9
|
O
|
A:HOH611
|
4.5
|
31.8
|
1.0
|
O72
|
A:WCO301
|
4.6
|
10.8
|
0.9
|
O54
|
A:WCO301
|
4.6
|
10.7
|
0.9
|
O50
|
A:WCO301
|
4.7
|
10.9
|
0.9
|
O42
|
A:WCO301
|
4.7
|
9.8
|
0.9
|
O
|
A:HOH654
|
4.7
|
28.6
|
1.0
|
O49
|
A:WCO301
|
4.8
|
9.2
|
0.9
|
O41
|
A:WCO301
|
4.9
|
9.9
|
0.9
|
O59
|
A:WCO301
|
4.9
|
9.5
|
0.9
|
CO1
|
A:WCO301
|
5.0
|
8.4
|
0.9
|
|
Tungsten binding site 6 out
of 22 in 6rug
Go back to
Tungsten Binding Sites List in 6rug
Tungsten binding site 6 out
of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr
 Mono view
 Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 6 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W301
b:9.9
occ:0.88
|
W17
|
A:WCO301
|
0.0
|
9.9
|
0.9
|
O54
|
A:WCO301
|
1.7
|
10.7
|
0.9
|
O77
|
A:WCO301
|
1.7
|
9.5
|
0.9
|
O55
|
A:WCO301
|
1.9
|
9.9
|
0.9
|
O53
|
A:WCO301
|
1.9
|
10.4
|
0.9
|
O66
|
A:WCO301
|
2.0
|
10.0
|
0.9
|
O61
|
A:WCO301
|
2.4
|
8.7
|
0.9
|
CO1
|
A:WCO301
|
3.3
|
8.4
|
0.9
|
W18
|
A:WCO301
|
3.4
|
9.3
|
0.9
|
HB2
|
A:ARG64
|
3.5
|
11.9
|
1.0
|
P2
|
A:WCO301
|
3.6
|
8.5
|
0.9
|
O78
|
A:WCO301
|
3.6
|
9.5
|
0.9
|
O65
|
A:WCO301
|
3.7
|
10.3
|
0.9
|
W16
|
A:WCO301
|
3.7
|
10.6
|
0.9
|
W21
|
A:WCO301
|
3.8
|
10.5
|
0.9
|
O67
|
A:WCO301
|
3.9
|
9.8
|
0.9
|
O60
|
A:WCO301
|
3.9
|
9.2
|
0.9
|
O76
|
A:WCO301
|
3.9
|
9.3
|
0.9
|
HG3
|
A:ARG64
|
4.0
|
13.9
|
1.0
|
O62
|
A:WCO301
|
4.0
|
9.4
|
0.9
|
HA
|
A:ARG64
|
4.1
|
10.5
|
1.0
|
HD2
|
A:ARG64
|
4.2
|
16.8
|
1.0
|
CB
|
A:ARG64
|
4.3
|
9.9
|
1.0
|
O
|
A:HOH613
|
4.3
|
10.1
|
1.0
|
O45
|
A:WCO301
|
4.4
|
9.4
|
0.9
|
O73
|
A:WCO301
|
4.5
|
9.5
|
0.9
|
CG
|
A:ARG64
|
4.5
|
11.6
|
1.0
|
CA
|
A:ARG64
|
4.6
|
8.7
|
1.0
|
O52
|
A:WCO301
|
4.6
|
11.8
|
0.9
|
O56
|
A:WCO301
|
4.7
|
9.4
|
0.9
|
O
|
A:HOH478
|
4.7
|
9.2
|
1.0
|
O72
|
A:WCO301
|
4.7
|
10.8
|
0.9
|
O57
|
A:WCO301
|
4.8
|
9.4
|
0.9
|
CD
|
A:ARG64
|
4.9
|
14.0
|
1.0
|
O59
|
A:WCO301
|
4.9
|
9.5
|
0.9
|
W13
|
A:WCO301
|
5.0
|
9.9
|
0.9
|
O75
|
A:WCO301
|
5.0
|
10.1
|
0.9
|
|
Tungsten binding site 7 out
of 22 in 6rug
Go back to
Tungsten Binding Sites List in 6rug
Tungsten binding site 7 out
of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr
 Mono view
 Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 7 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W301
b:9.3
occ:0.88
|
W18
|
A:WCO301
|
0.0
|
9.3
|
0.9
|
O78
|
A:WCO301
|
1.7
|
9.5
|
0.9
|
O56
|
A:WCO301
|
1.7
|
9.4
|
0.9
|
O57
|
A:WCO301
|
1.9
|
9.4
|
0.9
|
O55
|
A:WCO301
|
1.9
|
9.9
|
0.9
|
O67
|
A:WCO301
|
2.0
|
9.8
|
0.9
|
O61
|
A:WCO301
|
2.3
|
8.7
|
0.9
|
H
|
A:SER45
|
3.1
|
9.8
|
1.0
|
CO1
|
A:WCO301
|
3.3
|
8.4
|
0.9
|
HB3
|
A:SER45
|
3.3
|
11.3
|
1.0
|
W17
|
A:WCO301
|
3.4
|
9.9
|
0.9
|
HG
|
A:SER45
|
3.4
|
12.7
|
1.0
|
H
|
A:ALA44
|
3.5
|
8.9
|
1.0
|
P2
|
A:WCO301
|
3.5
|
8.5
|
0.9
|
O77
|
A:WCO301
|
3.6
|
9.5
|
0.9
|
O68
|
A:WCO301
|
3.7
|
9.1
|
0.9
|
W19
|
A:WCO301
|
3.7
|
9.8
|
0.9
|
W22
|
A:WCO301
|
3.8
|
10.0
|
0.9
|
O75
|
A:WCO301
|
3.8
|
10.1
|
0.9
|
HA
|
A:GLU43
|
3.8
|
9.4
|
1.0
|
HG3
|
A:GLU43
|
3.9
|
11.5
|
1.0
|
O66
|
A:WCO301
|
3.9
|
10.0
|
0.9
|
O59
|
A:WCO301
|
3.9
|
9.5
|
0.9
|
N
|
A:SER45
|
3.9
|
8.1
|
1.0
|
O62
|
A:WCO301
|
4.0
|
9.4
|
0.9
|
N
|
A:ALA44
|
4.0
|
7.5
|
1.0
|
OG
|
A:SER45
|
4.0
|
10.6
|
1.0
|
CB
|
A:SER45
|
4.0
|
9.4
|
1.0
|
HB2
|
A:ALA44
|
4.1
|
9.3
|
1.0
|
O
|
A:HOH613
|
4.2
|
10.1
|
1.0
|
O46
|
A:WCO301
|
4.4
|
9.7
|
0.9
|
O73
|
A:WCO301
|
4.5
|
9.5
|
0.9
|
C
|
A:GLU43
|
4.5
|
7.5
|
1.0
|
HG2
|
A:GLU43
|
4.6
|
11.5
|
1.0
|
CA
|
A:GLU43
|
4.6
|
7.9
|
1.0
|
O58
|
A:WCO301
|
4.6
|
10.6
|
0.9
|
CA
|
A:SER45
|
4.6
|
8.8
|
1.0
|
CG
|
A:GLU43
|
4.6
|
9.6
|
1.0
|
O
|
A:HOH478
|
4.6
|
9.2
|
1.0
|
O54
|
A:WCO301
|
4.7
|
10.7
|
0.9
|
O74
|
A:WCO301
|
4.7
|
10.5
|
0.9
|
CA
|
A:ALA44
|
4.7
|
7.8
|
1.0
|
C
|
A:ALA44
|
4.7
|
8.0
|
1.0
|
O53
|
A:WCO301
|
4.8
|
10.4
|
0.9
|
HB2
|
A:SER45
|
4.9
|
11.3
|
1.0
|
O60
|
A:WCO301
|
4.9
|
9.2
|
0.9
|
CB
|
A:ALA44
|
4.9
|
7.7
|
1.0
|
W12
|
A:WCO301
|
4.9
|
9.6
|
0.9
|
O76
|
A:WCO301
|
5.0
|
9.3
|
0.9
|
|
Tungsten binding site 8 out
of 22 in 6rug
Go back to
Tungsten Binding Sites List in 6rug
Tungsten binding site 8 out
of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr
 Mono view
 Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 8 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W301
b:9.8
occ:0.88
|
W19
|
A:WCO301
|
0.0
|
9.8
|
0.9
|
O58
|
A:WCO301
|
1.7
|
10.6
|
0.9
|
O68
|
A:WCO301
|
1.9
|
9.1
|
0.9
|
O57
|
A:WCO301
|
1.9
|
9.4
|
0.9
|
O47
|
A:WCO301
|
1.9
|
10.8
|
0.9
|
O46
|
A:WCO301
|
1.9
|
9.7
|
0.9
|
O59
|
A:WCO301
|
2.4
|
9.5
|
0.9
|
O
|
A:HOH402
|
2.6
|
10.1
|
1.0
|
O
|
A:HOH414
|
3.3
|
11.7
|
1.0
|
HB2
|
A:ALA44
|
3.3
|
9.3
|
1.0
|
W14
|
A:WCO301
|
3.4
|
10.2
|
0.9
|
HB3
|
A:SER45
|
3.4
|
11.3
|
1.0
|
W12
|
A:WCO301
|
3.4
|
9.6
|
0.9
|
P2
|
A:WCO301
|
3.6
|
8.5
|
0.9
|
O43
|
A:WCO301
|
3.6
|
9.7
|
0.9
|
O67
|
A:WCO301
|
3.6
|
9.8
|
0.9
|
W22
|
A:WCO301
|
3.7
|
10.0
|
0.9
|
W18
|
A:WCO301
|
3.7
|
9.3
|
0.9
|
O75
|
A:WCO301
|
3.8
|
10.1
|
0.9
|
O63
|
A:WCO301
|
3.8
|
10.0
|
0.9
|
O62
|
A:WCO301
|
3.9
|
9.4
|
0.9
|
O61
|
A:WCO301
|
3.9
|
8.7
|
0.9
|
H
|
A:SER45
|
4.0
|
9.8
|
1.0
|
O
|
A:HOH571
|
4.0
|
21.1
|
1.0
|
N
|
A:SER45
|
4.0
|
8.1
|
1.0
|
CB
|
A:ALA44
|
4.1
|
7.7
|
1.0
|
HA
|
A:SER45
|
4.2
|
10.5
|
1.0
|
HB3
|
A:ALA44
|
4.2
|
9.3
|
1.0
|
CB
|
A:SER45
|
4.3
|
9.4
|
1.0
|
O69
|
A:WCO301
|
4.3
|
9.9
|
0.9
|
C
|
A:ALA44
|
4.4
|
8.0
|
1.0
|
O78
|
A:WCO301
|
4.4
|
9.5
|
0.9
|
CA
|
A:SER45
|
4.4
|
8.8
|
1.0
|
O74
|
A:WCO301
|
4.6
|
10.5
|
0.9
|
O56
|
A:WCO301
|
4.6
|
9.4
|
0.9
|
O40
|
A:WCO301
|
4.6
|
9.8
|
0.9
|
HB2
|
A:SER45
|
4.7
|
11.3
|
1.0
|
O48
|
A:WCO301
|
4.7
|
11.1
|
0.9
|
CA
|
A:ALA44
|
4.8
|
7.8
|
1.0
|
O49
|
A:WCO301
|
4.8
|
9.2
|
0.9
|
H
|
A:ALA44
|
4.8
|
8.9
|
1.0
|
HB1
|
A:ALA44
|
4.9
|
9.3
|
1.0
|
O41
|
A:WCO301
|
4.9
|
9.9
|
0.9
|
O60
|
A:WCO301
|
4.9
|
9.2
|
0.9
|
O
|
A:ALA44
|
4.9
|
8.9
|
1.0
|
|
Tungsten binding site 9 out
of 22 in 6rug
Go back to
Tungsten Binding Sites List in 6rug
Tungsten binding site 9 out
of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr
 Mono view
 Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 9 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W301
b:10.3
occ:0.88
|
W20
|
A:WCO301
|
0.0
|
10.3
|
0.9
|
O70
|
A:WCO301
|
1.7
|
10.4
|
0.9
|
O69
|
A:WCO301
|
1.9
|
9.9
|
0.9
|
O64
|
A:WCO301
|
1.9
|
10.0
|
0.9
|
O71
|
A:WCO301
|
1.9
|
10.5
|
0.9
|
O63
|
A:WCO301
|
2.0
|
10.0
|
0.9
|
O62
|
A:WCO301
|
2.4
|
9.4
|
0.9
|
O
|
A:HOH403
|
2.7
|
16.9
|
1.0
|
W21
|
A:WCO301
|
3.4
|
10.5
|
0.9
|
W22
|
A:WCO301
|
3.4
|
10.0
|
0.9
|
O73
|
A:WCO301
|
3.5
|
9.5
|
0.9
|
P2
|
A:WCO301
|
3.6
|
8.5
|
0.9
|
O49
|
A:WCO301
|
3.7
|
9.2
|
0.9
|
W14
|
A:WCO301
|
3.7
|
10.2
|
0.9
|
W15
|
A:WCO301
|
3.7
|
10.7
|
0.9
|
O65
|
A:WCO301
|
3.8
|
10.3
|
0.9
|
O68
|
A:WCO301
|
3.9
|
9.1
|
0.9
|
O59
|
A:WCO301
|
3.9
|
9.5
|
0.9
|
O60
|
A:WCO301
|
4.0
|
9.2
|
0.9
|
O
|
A:HOH495
|
4.1
|
11.4
|
1.0
|
O47
|
A:WCO301
|
4.3
|
10.8
|
0.9
|
O51
|
A:WCO301
|
4.4
|
11.1
|
0.9
|
O
|
A:HOH674
|
4.6
|
10.4
|
1.0
|
O48
|
A:WCO301
|
4.6
|
11.1
|
0.9
|
O72
|
A:WCO301
|
4.6
|
10.8
|
0.9
|
O50
|
A:WCO301
|
4.6
|
10.9
|
0.9
|
O74
|
A:WCO301
|
4.7
|
10.5
|
0.9
|
O66
|
A:WCO301
|
4.8
|
10.0
|
0.9
|
O67
|
A:WCO301
|
4.8
|
9.8
|
0.9
|
O61
|
A:WCO301
|
5.0
|
8.7
|
0.9
|
|
Tungsten binding site 10 out
of 22 in 6rug
Go back to
Tungsten Binding Sites List in 6rug
Tungsten binding site 10 out
of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr
 Mono view
 Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 10 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W301
b:10.5
occ:0.88
|
W21
|
A:WCO301
|
0.0
|
10.5
|
0.9
|
O72
|
A:WCO301
|
1.7
|
10.8
|
0.9
|
O66
|
A:WCO301
|
1.9
|
10.0
|
0.9
|
O73
|
A:WCO301
|
1.9
|
9.5
|
0.9
|
O65
|
A:WCO301
|
1.9
|
10.3
|
0.9
|
O71
|
A:WCO301
|
1.9
|
10.5
|
0.9
|
O62
|
A:WCO301
|
2.4
|
9.4
|
0.9
|
W20
|
A:WCO301
|
3.4
|
10.3
|
0.9
|
W22
|
A:WCO301
|
3.4
|
10.0
|
0.9
|
P2
|
A:WCO301
|
3.6
|
8.5
|
0.9
|
O53
|
A:WCO301
|
3.6
|
10.4
|
0.9
|
O69
|
A:WCO301
|
3.6
|
9.9
|
0.9
|
W16
|
A:WCO301
|
3.7
|
10.6
|
0.9
|
W17
|
A:WCO301
|
3.8
|
9.9
|
0.9
|
O67
|
A:WCO301
|
3.8
|
9.8
|
0.9
|
O64
|
A:WCO301
|
3.8
|
10.0
|
0.9
|
O61
|
A:WCO301
|
3.9
|
8.7
|
0.9
|
O60
|
A:WCO301
|
3.9
|
9.2
|
0.9
|
O
|
A:HOH551
|
4.0
|
16.4
|
1.0
|
O55
|
A:WCO301
|
4.3
|
9.9
|
0.9
|
O51
|
A:WCO301
|
4.4
|
11.1
|
0.9
|
O54
|
A:WCO301
|
4.5
|
10.7
|
0.9
|
O52
|
A:WCO301
|
4.6
|
11.8
|
0.9
|
O74
|
A:WCO301
|
4.7
|
10.5
|
0.9
|
O
|
A:HOH636
|
4.7
|
28.4
|
1.0
|
O70
|
A:WCO301
|
4.7
|
10.4
|
0.9
|
O68
|
A:WCO301
|
4.9
|
9.1
|
0.9
|
O59
|
A:WCO301
|
4.9
|
9.5
|
0.9
|
O63
|
A:WCO301
|
4.9
|
10.0
|
0.9
|
|
Reference:
J.Breibeck,
A.Bijelic,
A.Rompel.
Transition Metal-Substituted Keggin Polyoxotungstates Enabling Covalent Attachment to Proteinase K Upon Co-Crystallization. Chem.Commun.(Camb.) V. 55 11519 2019.
ISSN: ESSN 1364-548X
PubMed: 31490500
DOI: 10.1039/C9CC05818D
Page generated: Sat Oct 12 07:28:54 2024
|