Calcium in PDB 7m66: Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor
Enzymatic activity of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor
All present enzymatic activity of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor:
1.1.1.88;
Protein crystallography data
The structure of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor, PDB code: 7m66
was solved by
S.Bose,
C.N.Steussy,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
45.13 /
2.25
|
Space group
|
P 61
|
Cell size a, b, c (Å), α, β, γ (°)
|
168.661,
168.661,
120.194,
90,
90,
120
|
R / Rfree (%)
|
17.5 /
20.9
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor
(pdb code 7m66). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the
Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor, PDB code: 7m66:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 10 in 7m66
Go back to
Calcium Binding Sites List in 7m66
Calcium binding site 1 out
of 10 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca506
b:34.2
occ:1.00
|
O
|
A:HOH685
|
2.2
|
38.2
|
1.0
|
O
|
A:HOH714
|
2.3
|
40.6
|
1.0
|
OE1
|
A:GLU347
|
2.5
|
32.9
|
1.0
|
OG1
|
C:THR343
|
2.5
|
27.5
|
1.0
|
OE1
|
C:GLU347
|
2.5
|
30.0
|
1.0
|
OE2
|
C:GLU347
|
2.6
|
31.1
|
1.0
|
OE2
|
A:GLU347
|
2.6
|
34.5
|
1.0
|
OG1
|
A:THR343
|
2.7
|
31.6
|
1.0
|
CD
|
C:GLU347
|
2.8
|
31.1
|
1.0
|
CD
|
A:GLU347
|
2.9
|
34.9
|
1.0
|
HG1
|
A:THR343
|
3.3
|
37.9
|
1.0
|
HB
|
C:THR343
|
3.4
|
41.2
|
1.0
|
H
|
C:THR343
|
3.4
|
41.9
|
1.0
|
HB
|
A:THR343
|
3.5
|
43.2
|
1.0
|
CB
|
C:THR343
|
3.5
|
34.3
|
1.0
|
H
|
A:THR343
|
3.5
|
41.9
|
1.0
|
CB
|
A:THR343
|
3.6
|
36.0
|
1.0
|
N
|
C:THR343
|
4.0
|
34.9
|
1.0
|
N
|
A:THR343
|
4.1
|
34.9
|
1.0
|
HH
|
A:TYR78
|
4.2
|
44.0
|
1.0
|
HA
|
C:VAL342
|
4.2
|
38.0
|
1.0
|
HA
|
A:VAL342
|
4.2
|
42.4
|
1.0
|
CG
|
C:GLU347
|
4.2
|
30.8
|
1.0
|
HH
|
C:TYR78
|
4.2
|
41.4
|
1.0
|
CG
|
A:GLU347
|
4.3
|
30.6
|
1.0
|
CA
|
C:THR343
|
4.4
|
31.1
|
1.0
|
HG3
|
C:GLU347
|
4.4
|
37.0
|
1.0
|
HG21
|
C:THR343
|
4.5
|
40.4
|
1.0
|
CA
|
A:THR343
|
4.5
|
33.4
|
1.0
|
HG3
|
A:GLU347
|
4.5
|
36.7
|
1.0
|
CG2
|
C:THR343
|
4.6
|
33.6
|
1.0
|
HB2
|
A:GLU347
|
4.7
|
35.5
|
1.0
|
HB2
|
C:GLU347
|
4.7
|
34.7
|
1.0
|
HG21
|
A:THR343
|
4.7
|
41.5
|
1.0
|
O
|
C:ALA341
|
4.8
|
32.7
|
1.0
|
O
|
A:ALA341
|
4.8
|
33.2
|
1.0
|
CG2
|
A:THR343
|
4.8
|
34.5
|
1.0
|
HG2
|
C:GLU347
|
4.8
|
37.0
|
1.0
|
OH
|
A:TYR78
|
4.8
|
36.7
|
1.0
|
HA
|
C:THR343
|
4.8
|
37.4
|
1.0
|
C
|
C:VAL342
|
4.9
|
33.1
|
1.0
|
HG2
|
A:GLU347
|
4.9
|
36.7
|
1.0
|
OH
|
C:TYR78
|
4.9
|
34.5
|
1.0
|
C
|
A:VAL342
|
4.9
|
35.5
|
1.0
|
HA
|
A:THR343
|
4.9
|
40.0
|
1.0
|
CB
|
C:GLU347
|
4.9
|
28.9
|
1.0
|
HG21
|
A:THR76
|
4.9
|
43.3
|
1.0
|
CB
|
A:GLU347
|
5.0
|
29.5
|
1.0
|
CA
|
C:VAL342
|
5.0
|
31.6
|
1.0
|
O
|
C:HOH625
|
5.0
|
36.8
|
1.0
|
HB3
|
C:GLU347
|
5.0
|
34.7
|
1.0
|
CA
|
A:VAL342
|
5.0
|
35.3
|
1.0
|
|
Calcium binding site 2 out
of 10 in 7m66
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Calcium Binding Sites List in 7m66
Calcium binding site 2 out
of 10 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca507
b:42.0
occ:1.00
|
O
|
A:ASP338
|
2.3
|
35.3
|
1.0
|
OD1
|
A:ASP338
|
2.4
|
42.9
|
1.0
|
O
|
A:HOH704
|
2.5
|
34.3
|
1.0
|
O
|
B:HOH751
|
2.5
|
49.1
|
1.0
|
O
|
B:GLN31
|
2.5
|
42.0
|
1.0
|
O
|
A:HOH743
|
2.7
|
36.3
|
1.0
|
HB2
|
A:ALA341
|
3.2
|
40.0
|
1.0
|
C
|
A:ASP338
|
3.4
|
34.6
|
1.0
|
C
|
B:GLN31
|
3.6
|
37.0
|
1.0
|
CG
|
A:ASP338
|
3.6
|
38.8
|
1.0
|
HA
|
B:ILE32
|
3.8
|
44.4
|
1.0
|
HA
|
A:ASP338
|
3.8
|
43.6
|
1.0
|
HA
|
B:GLN31
|
3.9
|
46.1
|
1.0
|
HA
|
A:LEU339
|
3.9
|
41.6
|
1.0
|
CA
|
A:ASP338
|
4.1
|
36.3
|
1.0
|
CB
|
A:ALA341
|
4.2
|
33.3
|
1.0
|
CA
|
B:GLN31
|
4.3
|
38.4
|
1.0
|
N
|
A:LEU339
|
4.3
|
36.5
|
1.0
|
O
|
B:HOH730
|
4.4
|
48.7
|
1.0
|
HB1
|
A:ALA341
|
4.4
|
40.0
|
1.0
|
HG22
|
B:ILE32
|
4.4
|
46.4
|
1.0
|
O
|
C:HOH740
|
4.4
|
44.9
|
1.0
|
CB
|
A:ASP338
|
4.5
|
37.0
|
1.0
|
OD2
|
A:ASP338
|
4.5
|
37.0
|
1.0
|
N
|
B:ILE32
|
4.5
|
36.3
|
1.0
|
CA
|
A:LEU339
|
4.5
|
34.6
|
1.0
|
CA
|
B:ILE32
|
4.6
|
37.0
|
1.0
|
O
|
A:HOH726
|
4.6
|
40.4
|
1.0
|
HB3
|
A:ALA341
|
4.7
|
40.0
|
1.0
|
O
|
A:LEU339
|
4.7
|
30.6
|
1.0
|
HB3
|
B:GLN31
|
4.7
|
49.4
|
1.0
|
C
|
A:LEU339
|
4.8
|
29.0
|
1.0
|
HA
|
A:ALA341
|
4.8
|
38.9
|
1.0
|
O
|
B:GLY30
|
5.0
|
43.7
|
1.0
|
CA
|
A:ALA341
|
5.0
|
32.4
|
1.0
|
HB3
|
A:ASP338
|
5.0
|
44.4
|
1.0
|
|
Calcium binding site 3 out
of 10 in 7m66
Go back to
Calcium Binding Sites List in 7m66
Calcium binding site 3 out
of 10 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca508
b:68.6
occ:1.00
|
O
|
A:LEU159
|
2.3
|
60.0
|
1.0
|
O
|
A:HOH617
|
2.3
|
59.3
|
1.0
|
O
|
A:HOH746
|
2.4
|
56.9
|
1.0
|
O
|
A:HOH695
|
2.4
|
58.9
|
1.0
|
OD1
|
A:ASP158
|
2.8
|
67.0
|
1.0
|
H
|
A:LEU159
|
3.5
|
66.3
|
1.0
|
C
|
A:LEU159
|
3.5
|
60.6
|
1.0
|
HG2
|
A:GLN160
|
3.8
|
69.4
|
1.0
|
OE2
|
A:GLU135
|
3.9
|
64.9
|
1.0
|
CG
|
A:ASP158
|
3.9
|
62.3
|
1.0
|
HA
|
A:GLN160
|
4.0
|
67.9
|
1.0
|
N
|
A:LEU159
|
4.1
|
55.2
|
1.0
|
HB2
|
A:LEU159
|
4.2
|
69.6
|
1.0
|
OD2
|
A:ASP158
|
4.3
|
66.2
|
1.0
|
CA
|
A:LEU159
|
4.3
|
59.0
|
1.0
|
N
|
A:GLN160
|
4.5
|
55.9
|
1.0
|
OE1
|
A:GLU135
|
4.5
|
63.3
|
1.0
|
HE1
|
A:TYR161
|
4.5
|
70.0
|
1.0
|
CD
|
A:GLU135
|
4.6
|
68.3
|
1.0
|
CA
|
A:GLN160
|
4.7
|
56.6
|
1.0
|
CG
|
A:GLN160
|
4.7
|
57.8
|
1.0
|
HA
|
A:ASP158
|
4.8
|
64.2
|
1.0
|
CB
|
A:LEU159
|
4.8
|
58.0
|
1.0
|
O
|
A:HOH721
|
4.9
|
52.2
|
1.0
|
HG3
|
A:GLN160
|
4.9
|
69.4
|
1.0
|
|
Calcium binding site 4 out
of 10 in 7m66
Go back to
Calcium Binding Sites List in 7m66
Calcium binding site 4 out
of 10 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca506
b:52.0
occ:1.00
|
OD1
|
B:ASP338
|
2.4
|
48.0
|
1.0
|
O
|
B:HOH732
|
2.4
|
47.4
|
1.0
|
O
|
B:ASP338
|
2.4
|
41.1
|
1.0
|
O
|
B:HOH685
|
2.4
|
36.9
|
1.0
|
O
|
A:HOH749
|
2.5
|
55.3
|
1.0
|
O
|
A:GLN31
|
2.5
|
50.4
|
1.0
|
O
|
A:HOH725
|
2.6
|
47.3
|
1.0
|
HB2
|
B:ALA341
|
3.1
|
61.1
|
1.0
|
C
|
B:ASP338
|
3.4
|
38.8
|
1.0
|
C
|
A:GLN31
|
3.5
|
46.0
|
1.0
|
CG
|
B:ASP338
|
3.6
|
47.3
|
1.0
|
HA
|
A:ILE32
|
3.7
|
55.4
|
1.0
|
HA
|
A:GLN31
|
3.8
|
61.4
|
1.0
|
HA
|
B:ASP338
|
3.9
|
48.6
|
1.0
|
HA
|
B:LEU339
|
3.9
|
49.1
|
1.0
|
CB
|
B:ALA341
|
4.1
|
50.9
|
1.0
|
CA
|
B:ASP338
|
4.1
|
40.5
|
1.0
|
CA
|
A:GLN31
|
4.2
|
51.2
|
1.0
|
N
|
B:LEU339
|
4.3
|
40.7
|
1.0
|
N
|
A:ILE32
|
4.3
|
47.4
|
1.0
|
HB1
|
B:ALA341
|
4.4
|
61.1
|
1.0
|
HB3
|
B:ALA341
|
4.4
|
61.1
|
1.0
|
CA
|
A:ILE32
|
4.5
|
46.2
|
1.0
|
CA
|
B:LEU339
|
4.5
|
40.9
|
1.0
|
CB
|
B:ASP338
|
4.5
|
44.1
|
1.0
|
O
|
B:LEU339
|
4.5
|
43.6
|
1.0
|
HG22
|
A:ILE32
|
4.5
|
56.3
|
1.0
|
OD2
|
B:ASP338
|
4.5
|
41.2
|
1.0
|
O
|
A:GLY30
|
4.6
|
49.5
|
1.0
|
C
|
B:LEU339
|
4.7
|
40.3
|
1.0
|
HB3
|
A:GLN31
|
4.7
|
58.0
|
1.0
|
OE1
|
A:GLN31
|
4.9
|
52.2
|
1.0
|
HB3
|
B:ASP338
|
4.9
|
53.0
|
1.0
|
|
Calcium binding site 5 out
of 10 in 7m66
Go back to
Calcium Binding Sites List in 7m66
Calcium binding site 5 out
of 10 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca507
b:74.5
occ:1.00
|
OD1
|
B:ASP129
|
2.6
|
56.1
|
1.0
|
O
|
B:HOH609
|
2.7
|
54.9
|
1.0
|
OE1
|
B:GLN132
|
2.7
|
46.5
|
1.0
|
O
|
B:HOH749
|
2.7
|
54.3
|
1.0
|
O
|
B:HOH746
|
2.8
|
54.1
|
1.0
|
HE22
|
B:GLN132
|
3.3
|
59.3
|
1.0
|
HG22
|
B:ILE128
|
3.6
|
45.0
|
1.0
|
CD
|
B:GLN132
|
3.6
|
46.5
|
1.0
|
CG
|
B:ASP129
|
3.8
|
49.5
|
1.0
|
NE2
|
B:GLN132
|
3.8
|
49.4
|
1.0
|
HA
|
B:ASP129
|
3.9
|
51.8
|
1.0
|
OD2
|
B:ASP129
|
4.5
|
61.4
|
1.0
|
CG2
|
B:ILE128
|
4.5
|
37.5
|
1.0
|
CA
|
B:ASP129
|
4.6
|
43.2
|
1.0
|
HE21
|
B:GLN132
|
4.7
|
59.3
|
1.0
|
HG21
|
B:ILE128
|
4.7
|
45.0
|
1.0
|
CB
|
B:ASP129
|
4.8
|
45.6
|
1.0
|
N
|
B:ASP129
|
4.9
|
41.5
|
1.0
|
|
Calcium binding site 6 out
of 10 in 7m66
Go back to
Calcium Binding Sites List in 7m66
Calcium binding site 6 out
of 10 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca505
b:43.8
occ:1.00
|
O
|
C:ASP338
|
2.3
|
35.5
|
1.0
|
OD1
|
C:ASP338
|
2.3
|
41.4
|
1.0
|
O
|
D:HOH756
|
2.4
|
42.5
|
1.0
|
O
|
D:GLN31
|
2.5
|
38.3
|
1.0
|
O
|
D:HOH777
|
2.5
|
43.3
|
1.0
|
O
|
C:HOH707
|
2.6
|
37.2
|
1.0
|
O
|
C:HOH725
|
2.6
|
41.8
|
1.0
|
HB2
|
C:ALA341
|
3.2
|
38.0
|
1.0
|
C
|
C:ASP338
|
3.3
|
33.4
|
1.0
|
CG
|
C:ASP338
|
3.5
|
35.9
|
1.0
|
C
|
D:GLN31
|
3.5
|
36.8
|
1.0
|
HA
|
D:ILE32
|
3.8
|
41.1
|
1.0
|
HA
|
C:ASP338
|
3.9
|
39.3
|
1.0
|
HA
|
D:GLN31
|
3.9
|
45.9
|
1.0
|
HA
|
C:LEU339
|
3.9
|
40.9
|
1.0
|
CA
|
C:ASP338
|
4.1
|
32.7
|
1.0
|
CB
|
C:ALA341
|
4.1
|
31.6
|
1.0
|
N
|
C:LEU339
|
4.3
|
32.2
|
1.0
|
CA
|
D:GLN31
|
4.3
|
38.2
|
1.0
|
HG22
|
D:ILE32
|
4.3
|
43.5
|
1.0
|
OD2
|
C:ASP338
|
4.3
|
32.3
|
1.0
|
HB1
|
C:ALA341
|
4.4
|
38.0
|
1.0
|
N
|
D:ILE32
|
4.4
|
34.6
|
1.0
|
CB
|
C:ASP338
|
4.4
|
34.9
|
1.0
|
CA
|
C:LEU339
|
4.5
|
34.1
|
1.0
|
O
|
A:HOH711
|
4.5
|
44.2
|
1.0
|
CA
|
D:ILE32
|
4.5
|
34.3
|
1.0
|
HB3
|
C:ALA341
|
4.6
|
38.0
|
1.0
|
O
|
C:LEU339
|
4.7
|
28.8
|
1.0
|
HA
|
C:ALA341
|
4.7
|
35.3
|
1.0
|
C
|
C:LEU339
|
4.7
|
28.2
|
1.0
|
O
|
D:GLY30
|
4.8
|
44.7
|
1.0
|
HB3
|
D:GLN31
|
4.8
|
47.9
|
1.0
|
CA
|
C:ALA341
|
4.9
|
29.4
|
1.0
|
HB3
|
C:ASP338
|
4.9
|
41.9
|
1.0
|
|
Calcium binding site 7 out
of 10 in 7m66
Go back to
Calcium Binding Sites List in 7m66
Calcium binding site 7 out
of 10 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca506
b:64.1
occ:1.00
|
O
|
C:HOH747
|
2.4
|
63.7
|
1.0
|
O
|
C:LEU159
|
2.4
|
53.6
|
1.0
|
O
|
C:HOH601
|
2.4
|
63.0
|
1.0
|
O
|
C:HOH703
|
2.5
|
60.1
|
1.0
|
O
|
C:HOH741
|
2.5
|
58.4
|
1.0
|
O
|
C:HOH724
|
2.8
|
55.2
|
1.0
|
OD1
|
C:ASP158
|
3.0
|
75.3
|
1.0
|
H
|
C:LEU159
|
3.4
|
72.1
|
1.0
|
OD2
|
C:ASP158
|
3.4
|
64.1
|
1.0
|
CG
|
C:ASP158
|
3.5
|
68.0
|
1.0
|
HG2
|
C:GLN160
|
3.6
|
62.9
|
1.0
|
C
|
C:LEU159
|
3.6
|
54.8
|
1.0
|
N
|
C:LEU159
|
4.0
|
60.1
|
1.0
|
HA
|
C:GLN160
|
4.1
|
64.7
|
1.0
|
CA
|
C:LEU159
|
4.4
|
55.5
|
1.0
|
HG3
|
C:GLN160
|
4.4
|
62.9
|
1.0
|
CG
|
C:GLN160
|
4.4
|
52.4
|
1.0
|
HB2
|
C:LEU159
|
4.5
|
69.5
|
1.0
|
OE2
|
C:GLU135
|
4.5
|
70.5
|
1.0
|
N
|
C:GLN160
|
4.6
|
53.7
|
1.0
|
HA
|
C:ASP158
|
4.6
|
66.2
|
1.0
|
CA
|
C:GLN160
|
4.7
|
53.9
|
1.0
|
HE2
|
C:TYR161
|
4.8
|
71.8
|
1.0
|
CB
|
C:ASP158
|
4.8
|
61.4
|
1.0
|
HE21
|
C:GLN160
|
4.9
|
63.3
|
1.0
|
C
|
C:ASP158
|
5.0
|
57.6
|
1.0
|
|
Calcium binding site 8 out
of 10 in 7m66
Go back to
Calcium Binding Sites List in 7m66
Calcium binding site 8 out
of 10 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca504
b:51.2
occ:1.00
|
O
|
C:GLN31
|
2.3
|
50.1
|
1.0
|
O
|
D:HOH762
|
2.5
|
53.5
|
1.0
|
O
|
D:ASP338
|
2.5
|
41.4
|
1.0
|
O
|
C:HOH720
|
2.5
|
48.2
|
1.0
|
O
|
D:HOH691
|
2.5
|
40.1
|
1.0
|
HB2
|
D:ALA341
|
3.3
|
51.0
|
1.0
|
OD2
|
D:ASP338
|
3.3
|
53.6
|
1.0
|
C
|
D:ASP338
|
3.3
|
41.4
|
1.0
|
C
|
C:GLN31
|
3.4
|
52.5
|
1.0
|
HA
|
C:ILE32
|
3.6
|
55.1
|
1.0
|
CG
|
D:ASP338
|
3.7
|
57.8
|
1.0
|
HA
|
C:GLN31
|
3.8
|
59.5
|
1.0
|
HA
|
D:ASP338
|
3.8
|
51.7
|
1.0
|
HA
|
D:LEU339
|
3.9
|
48.1
|
1.0
|
CA
|
D:ASP338
|
4.0
|
43.1
|
1.0
|
CA
|
C:GLN31
|
4.2
|
49.6
|
1.0
|
N
|
D:LEU339
|
4.2
|
39.1
|
1.0
|
CB
|
D:ALA341
|
4.2
|
42.5
|
1.0
|
N
|
C:ILE32
|
4.3
|
50.7
|
1.0
|
OD1
|
D:ASP338
|
4.3
|
74.6
|
1.0
|
CB
|
D:ASP338
|
4.3
|
49.3
|
1.0
|
HG22
|
C:ILE32
|
4.4
|
58.8
|
1.0
|
HA
|
D:ALA341
|
4.4
|
55.3
|
1.0
|
CA
|
C:ILE32
|
4.4
|
45.9
|
1.0
|
HB3
|
D:ASP338
|
4.4
|
59.2
|
1.0
|
CA
|
D:LEU339
|
4.4
|
40.1
|
1.0
|
HB1
|
D:ALA341
|
4.5
|
51.0
|
1.0
|
O
|
C:GLY30
|
4.5
|
48.6
|
1.0
|
O
|
D:LEU339
|
4.6
|
42.0
|
1.0
|
C
|
D:LEU339
|
4.6
|
43.2
|
1.0
|
H
|
D:ALA341
|
4.7
|
49.5
|
1.0
|
HB3
|
C:GLN31
|
4.7
|
57.9
|
1.0
|
CA
|
D:ALA341
|
4.7
|
46.1
|
1.0
|
HB3
|
D:ALA341
|
4.8
|
51.0
|
1.0
|
N
|
D:ALA341
|
4.9
|
41.2
|
1.0
|
H
|
D:LEU339
|
4.9
|
46.9
|
1.0
|
OE1
|
C:GLN31
|
5.0
|
55.2
|
1.0
|
|
Calcium binding site 9 out
of 10 in 7m66
Go back to
Calcium Binding Sites List in 7m66
Calcium binding site 9 out
of 10 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca505
b:35.6
occ:1.00
|
O
|
D:LEU159
|
2.3
|
34.1
|
1.0
|
OD1
|
D:ASP158
|
2.4
|
32.7
|
1.0
|
O
|
D:HOH606
|
2.4
|
36.6
|
1.0
|
O
|
D:HOH771
|
2.6
|
45.9
|
1.0
|
O
|
D:HOH608
|
2.6
|
31.0
|
1.0
|
O
|
D:HOH643
|
2.6
|
32.9
|
1.0
|
H
|
D:LEU159
|
3.2
|
39.2
|
1.0
|
CG
|
D:ASP158
|
3.4
|
35.2
|
1.0
|
C
|
D:LEU159
|
3.4
|
35.8
|
1.0
|
OD2
|
D:ASP158
|
3.8
|
38.8
|
1.0
|
N
|
D:LEU159
|
3.8
|
32.7
|
1.0
|
HG2
|
D:GLN160
|
4.0
|
39.8
|
1.0
|
HA
|
D:GLN160
|
4.1
|
39.8
|
1.0
|
HB2
|
D:LEU159
|
4.1
|
36.6
|
1.0
|
CA
|
D:LEU159
|
4.2
|
29.3
|
1.0
|
HG3
|
D:GLN160
|
4.2
|
39.8
|
1.0
|
OE2
|
D:GLU135
|
4.4
|
31.8
|
1.0
|
O
|
D:HOH680
|
4.4
|
48.2
|
1.0
|
HA
|
D:ASP158
|
4.5
|
39.1
|
1.0
|
N
|
D:GLN160
|
4.5
|
33.7
|
1.0
|
OE1
|
D:GLU135
|
4.5
|
35.4
|
1.0
|
HE1
|
D:TYR161
|
4.5
|
39.6
|
1.0
|
CG
|
D:GLN160
|
4.5
|
33.2
|
1.0
|
CB
|
D:LEU159
|
4.7
|
30.5
|
1.0
|
CA
|
D:GLN160
|
4.7
|
33.2
|
1.0
|
CB
|
D:ASP158
|
4.7
|
32.5
|
1.0
|
O
|
D:HOH776
|
4.8
|
45.9
|
1.0
|
C
|
D:ASP158
|
4.8
|
33.5
|
1.0
|
CA
|
D:ASP158
|
4.9
|
32.6
|
1.0
|
CD
|
D:GLU135
|
4.9
|
30.8
|
1.0
|
|
Calcium binding site 10 out
of 10 in 7m66
Go back to
Calcium Binding Sites List in 7m66
Calcium binding site 10 out
of 10 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca506
b:71.4
occ:1.00
|
O
|
D:HOH778
|
2.5
|
55.4
|
1.0
|
O
|
D:HOH668
|
2.5
|
37.9
|
1.0
|
O
|
D:HOH650
|
2.8
|
47.5
|
1.0
|
HD2
|
D:HIS52
|
3.6
|
43.1
|
1.0
|
HA
|
D:HIS52
|
3.9
|
44.5
|
1.0
|
O
|
D:HOH613
|
4.2
|
43.4
|
1.0
|
HG3
|
D:GLU55
|
4.4
|
42.8
|
1.0
|
CD2
|
D:HIS52
|
4.4
|
35.9
|
1.0
|
O
|
D:ASN51
|
4.4
|
31.5
|
1.0
|
O
|
D:HOH723
|
4.7
|
39.6
|
1.0
|
CA
|
D:HIS52
|
4.9
|
37.1
|
1.0
|
HA
|
D:GLU55
|
4.9
|
39.2
|
1.0
|
O
|
D:ILE54
|
4.9
|
32.1
|
1.0
|
|
Reference:
S.Bose,
C.N.Steussy.
Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non-Statin Inhibitor To Be Published.
Page generated: Fri Jul 19 01:55:58 2024
|