Sodium in PDB 2wwt: Intracellular Subtilisin Precursor From B. Clausii
Enzymatic activity of Intracellular Subtilisin Precursor From B. Clausii
All present enzymatic activity of Intracellular Subtilisin Precursor From B. Clausii:
3.4.21.62;
Protein crystallography data
The structure of Intracellular Subtilisin Precursor From B. Clausii, PDB code: 2wwt
was solved by
J.Vevodova,
M.Gamble,
A.Ariza,
E.Dodson,
D.D.Jones,
K.S.Wilson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
105.57 /
2.68
|
Space group
|
P 31
|
Cell size a, b, c (Å), α, β, γ (°)
|
121.640,
121.640,
106.201,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
16.6 /
25.2
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Intracellular Subtilisin Precursor From B. Clausii
(pdb code 2wwt). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 5 binding sites of Sodium where determined in the
Intracellular Subtilisin Precursor From B. Clausii, PDB code: 2wwt:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
Sodium binding site 1 out
of 5 in 2wwt
Go back to
Sodium Binding Sites List in 2wwt
Sodium binding site 1 out
of 5 in the Intracellular Subtilisin Precursor From B. Clausii
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Intracellular Subtilisin Precursor From B. Clausii within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na401
b:37.8
occ:1.00
|
O
|
B:ALA97
|
2.2
|
46.8
|
1.0
|
O
|
B:VAL103
|
2.4
|
44.2
|
1.0
|
OG1
|
B:THR99
|
2.5
|
53.6
|
1.0
|
O
|
B:SER101
|
2.6
|
51.6
|
1.0
|
OD1
|
B:ASP58
|
2.6
|
50.9
|
1.0
|
N
|
B:THR99
|
3.3
|
52.1
|
1.0
|
C
|
B:ALA97
|
3.3
|
46.3
|
1.0
|
C
|
B:VAL103
|
3.5
|
43.7
|
1.0
|
CB
|
B:THR99
|
3.6
|
54.9
|
1.0
|
C
|
B:SER101
|
3.7
|
53.0
|
1.0
|
CG
|
B:ASP58
|
3.7
|
48.1
|
1.0
|
N
|
B:VAL103
|
3.7
|
47.3
|
1.0
|
CG2
|
B:THR99
|
4.0
|
54.2
|
1.0
|
CA
|
B:THR99
|
4.0
|
54.2
|
1.0
|
CA
|
B:GLU98
|
4.1
|
47.9
|
1.0
|
N
|
B:GLU98
|
4.1
|
47.1
|
1.0
|
C
|
B:GLU98
|
4.1
|
51.1
|
1.0
|
N
|
B:SER101
|
4.3
|
54.2
|
1.0
|
CA
|
B:VAL103
|
4.3
|
44.5
|
1.0
|
N
|
B:ALA97
|
4.3
|
43.7
|
1.0
|
CB
|
B:ASP58
|
4.4
|
46.7
|
1.0
|
CA
|
B:ALA97
|
4.4
|
44.7
|
1.0
|
C
|
B:GLY102
|
4.5
|
49.1
|
1.0
|
N
|
B:VAL104
|
4.5
|
41.8
|
1.0
|
CA
|
B:SER101
|
4.5
|
54.8
|
1.0
|
N
|
B:GLY102
|
4.6
|
53.3
|
1.0
|
N
|
B:GLY100
|
4.7
|
54.4
|
1.0
|
OD2
|
B:ASP58
|
4.7
|
49.8
|
1.0
|
CA
|
B:GLY102
|
4.7
|
51.6
|
1.0
|
CA
|
B:VAL104
|
4.7
|
40.9
|
1.0
|
CB
|
B:VAL104
|
4.7
|
41.7
|
1.0
|
C
|
B:THR99
|
4.7
|
55.2
|
1.0
|
CA
|
B:ASP58
|
4.7
|
48.1
|
1.0
|
C
|
B:ALA96
|
4.9
|
41.3
|
1.0
|
CB
|
B:SER101
|
4.9
|
56.7
|
1.0
|
|
Sodium binding site 2 out
of 5 in 2wwt
Go back to
Sodium Binding Sites List in 2wwt
Sodium binding site 2 out
of 5 in the Intracellular Subtilisin Precursor From B. Clausii
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Intracellular Subtilisin Precursor From B. Clausii within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na401
b:22.2
occ:1.00
|
O
|
C:HOH2002
|
2.3
|
25.2
|
1.0
|
O
|
C:ALA97
|
2.3
|
29.6
|
1.0
|
OD1
|
C:ASP58
|
2.4
|
33.3
|
1.0
|
O
|
C:VAL103
|
2.4
|
29.1
|
1.0
|
O
|
C:SER101
|
2.5
|
35.2
|
1.0
|
OG1
|
C:THR99
|
2.9
|
34.8
|
1.0
|
CG
|
C:ASP58
|
3.3
|
30.8
|
1.0
|
N
|
C:VAL103
|
3.3
|
29.9
|
1.0
|
C
|
C:VAL103
|
3.4
|
27.9
|
1.0
|
C
|
C:ALA97
|
3.6
|
29.6
|
1.0
|
C
|
C:SER101
|
3.6
|
35.5
|
1.0
|
N
|
C:THR99
|
3.7
|
32.8
|
1.0
|
OD2
|
C:ASP58
|
3.9
|
31.5
|
1.0
|
CB
|
C:THR99
|
3.9
|
33.9
|
1.0
|
C
|
C:GLY102
|
4.0
|
32.0
|
1.0
|
CG2
|
C:THR99
|
4.1
|
31.5
|
1.0
|
CA
|
C:VAL103
|
4.1
|
28.0
|
1.0
|
CA
|
C:GLY102
|
4.2
|
32.8
|
1.0
|
N
|
C:VAL104
|
4.3
|
27.2
|
1.0
|
CB
|
C:ASP58
|
4.3
|
28.3
|
1.0
|
N
|
C:GLY102
|
4.4
|
34.6
|
1.0
|
CA
|
C:THR99
|
4.4
|
33.9
|
1.0
|
N
|
C:ALA97
|
4.4
|
29.4
|
1.0
|
N
|
C:GLU98
|
4.4
|
29.7
|
1.0
|
CA
|
C:GLU98
|
4.5
|
30.5
|
1.0
|
N
|
C:SER101
|
4.5
|
36.7
|
1.0
|
CA
|
C:VAL104
|
4.5
|
26.2
|
1.0
|
CA
|
C:ALA97
|
4.6
|
28.9
|
1.0
|
C
|
C:GLU98
|
4.6
|
31.9
|
1.0
|
N
|
C:GLY100
|
4.7
|
35.3
|
1.0
|
CA
|
C:ASP58
|
4.7
|
29.1
|
1.0
|
CA
|
C:SER101
|
4.7
|
36.4
|
1.0
|
C
|
C:ALA96
|
4.8
|
29.2
|
1.0
|
CB
|
C:VAL104
|
4.8
|
26.9
|
1.0
|
O
|
C:GLY102
|
5.0
|
32.9
|
1.0
|
|
Sodium binding site 3 out
of 5 in 2wwt
Go back to
Sodium Binding Sites List in 2wwt
Sodium binding site 3 out
of 5 in the Intracellular Subtilisin Precursor From B. Clausii
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Intracellular Subtilisin Precursor From B. Clausii within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na401
b:37.4
occ:1.00
|
O
|
D:VAL103
|
2.2
|
40.9
|
1.0
|
OD1
|
D:ASP58
|
2.4
|
51.4
|
1.0
|
O
|
D:SER101
|
2.5
|
49.9
|
1.0
|
O
|
D:ALA97
|
2.5
|
43.7
|
1.0
|
OG1
|
D:THR99
|
2.5
|
50.5
|
1.0
|
CG
|
D:ASP58
|
3.3
|
45.5
|
1.0
|
C
|
D:VAL103
|
3.3
|
40.2
|
1.0
|
N
|
D:VAL103
|
3.4
|
43.5
|
1.0
|
N
|
D:THR99
|
3.5
|
49.7
|
1.0
|
C
|
D:ALA97
|
3.7
|
42.3
|
1.0
|
CB
|
D:THR99
|
3.7
|
51.4
|
1.0
|
C
|
D:SER101
|
3.7
|
51.2
|
1.0
|
OD2
|
D:ASP58
|
3.8
|
46.1
|
1.0
|
CA
|
D:VAL103
|
3.9
|
41.1
|
1.0
|
CG2
|
D:THR99
|
4.1
|
48.3
|
1.0
|
CA
|
D:THR99
|
4.1
|
51.6
|
1.0
|
C
|
D:GLY102
|
4.2
|
45.8
|
1.0
|
CB
|
D:ASP58
|
4.3
|
41.9
|
1.0
|
N
|
D:VAL104
|
4.3
|
38.9
|
1.0
|
CA
|
D:GLU98
|
4.4
|
45.5
|
1.0
|
C
|
D:GLU98
|
4.4
|
48.2
|
1.0
|
CA
|
D:GLY102
|
4.4
|
48.3
|
1.0
|
N
|
D:GLU98
|
4.4
|
43.6
|
1.0
|
N
|
D:SER101
|
4.5
|
54.9
|
1.0
|
N
|
D:GLY102
|
4.5
|
50.9
|
1.0
|
CA
|
D:ASP58
|
4.6
|
42.3
|
1.0
|
N
|
D:ALA97
|
4.7
|
36.9
|
1.0
|
CA
|
D:VAL104
|
4.7
|
37.1
|
1.0
|
CA
|
D:SER101
|
4.7
|
54.0
|
1.0
|
CA
|
D:ALA97
|
4.7
|
39.5
|
1.0
|
C
|
D:THR99
|
4.7
|
54.0
|
1.0
|
N
|
D:GLY100
|
4.8
|
53.8
|
1.0
|
|
Sodium binding site 4 out
of 5 in 2wwt
Go back to
Sodium Binding Sites List in 2wwt
Sodium binding site 4 out
of 5 in the Intracellular Subtilisin Precursor From B. Clausii
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Intracellular Subtilisin Precursor From B. Clausii within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Na401
b:33.2
occ:1.00
|
O
|
E:VAL103
|
2.2
|
40.8
|
1.0
|
OD1
|
E:ASP58
|
2.3
|
46.2
|
1.0
|
O
|
E:ALA97
|
2.5
|
42.5
|
1.0
|
O
|
E:SER101
|
2.5
|
46.7
|
1.0
|
OG1
|
E:THR99
|
2.7
|
51.0
|
1.0
|
N
|
E:THR99
|
3.2
|
48.1
|
1.0
|
CG
|
E:ASP58
|
3.3
|
44.0
|
1.0
|
C
|
E:VAL103
|
3.3
|
40.1
|
1.0
|
N
|
E:VAL103
|
3.5
|
42.4
|
1.0
|
C
|
E:ALA97
|
3.7
|
41.9
|
1.0
|
C
|
E:SER101
|
3.7
|
47.6
|
1.0
|
OD2
|
E:ASP58
|
3.8
|
47.3
|
1.0
|
CA
|
E:GLU98
|
3.8
|
44.9
|
1.0
|
CB
|
E:THR99
|
3.9
|
51.0
|
1.0
|
C
|
E:GLY102
|
4.0
|
43.9
|
1.0
|
C
|
E:GLU98
|
4.0
|
47.2
|
1.0
|
CA
|
E:VAL103
|
4.0
|
40.9
|
1.0
|
CA
|
E:THR99
|
4.1
|
50.7
|
1.0
|
N
|
E:GLU98
|
4.2
|
43.2
|
1.0
|
CG2
|
E:THR99
|
4.3
|
50.7
|
1.0
|
N
|
E:VAL104
|
4.3
|
38.9
|
1.0
|
CA
|
E:GLY102
|
4.4
|
45.1
|
1.0
|
CB
|
E:ASP58
|
4.4
|
41.6
|
1.0
|
N
|
E:SER101
|
4.5
|
50.4
|
1.0
|
N
|
E:GLY102
|
4.5
|
47.3
|
1.0
|
O
|
E:GLY102
|
4.5
|
44.2
|
1.0
|
CA
|
E:VAL104
|
4.6
|
38.4
|
1.0
|
N
|
E:GLY100
|
4.6
|
51.6
|
1.0
|
CA
|
E:SER101
|
4.8
|
49.6
|
1.0
|
CA
|
E:ALA97
|
4.9
|
40.0
|
1.0
|
C
|
E:THR99
|
4.9
|
52.4
|
1.0
|
CA
|
E:ASP58
|
4.9
|
42.4
|
1.0
|
CB
|
E:VAL104
|
4.9
|
39.1
|
1.0
|
N
|
E:ALA97
|
5.0
|
37.7
|
1.0
|
|
Sodium binding site 5 out
of 5 in 2wwt
Go back to
Sodium Binding Sites List in 2wwt
Sodium binding site 5 out
of 5 in the Intracellular Subtilisin Precursor From B. Clausii
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of Intracellular Subtilisin Precursor From B. Clausii within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Na401
b:44.5
occ:1.00
|
O
|
F:ALA97
|
2.4
|
52.9
|
1.0
|
O
|
F:SER101
|
2.4
|
52.0
|
1.0
|
OD1
|
F:ASP58
|
2.4
|
47.6
|
1.0
|
O
|
F:VAL103
|
2.5
|
44.0
|
1.0
|
OG1
|
F:THR99
|
2.5
|
54.9
|
1.0
|
N
|
F:VAL103
|
3.3
|
46.6
|
1.0
|
N
|
F:THR99
|
3.3
|
55.3
|
1.0
|
C
|
F:VAL103
|
3.3
|
43.2
|
1.0
|
CG
|
F:ASP58
|
3.4
|
47.3
|
1.0
|
C
|
F:SER101
|
3.6
|
52.8
|
1.0
|
C
|
F:ALA97
|
3.6
|
51.9
|
1.0
|
CB
|
F:THR99
|
3.7
|
57.6
|
1.0
|
C
|
F:GLY102
|
3.8
|
48.1
|
1.0
|
OD2
|
F:ASP58
|
3.8
|
48.7
|
1.0
|
CA
|
F:VAL103
|
3.9
|
44.1
|
1.0
|
CA
|
F:GLY102
|
4.0
|
50.3
|
1.0
|
CA
|
F:THR99
|
4.0
|
57.2
|
1.0
|
N
|
F:GLY102
|
4.2
|
52.3
|
1.0
|
N
|
F:VAL104
|
4.3
|
41.9
|
1.0
|
C
|
F:GLU98
|
4.3
|
55.4
|
1.0
|
CA
|
F:GLU98
|
4.3
|
53.5
|
1.0
|
CG2
|
F:THR99
|
4.4
|
57.0
|
1.0
|
N
|
F:GLU98
|
4.4
|
52.5
|
1.0
|
N
|
F:ALA97
|
4.6
|
49.2
|
1.0
|
CA
|
F:VAL104
|
4.6
|
42.2
|
1.0
|
CB
|
F:ASP58
|
4.6
|
47.3
|
1.0
|
O
|
F:GLY102
|
4.7
|
48.0
|
1.0
|
N
|
F:SER101
|
4.7
|
55.9
|
1.0
|
CA
|
F:ALA97
|
4.7
|
50.9
|
1.0
|
CA
|
F:SER101
|
4.7
|
54.8
|
1.0
|
C
|
F:THR99
|
4.8
|
58.5
|
1.0
|
N
|
F:GLY100
|
4.9
|
57.2
|
1.0
|
CB
|
F:VAL104
|
4.9
|
42.5
|
1.0
|
|
Reference:
J.Vevodova,
M.Gamble,
G.Kunze,
A.Ariza,
E.Dodson,
D.D.Jones,
K.S.Wilson.
Crystal Structure of An Intracellular Subtilisin Reveals Novel Structural Features Unique to This Subtilisin Family. Structure V. 18 744 2010.
ISSN: ISSN 0969-2126
PubMed: 20541512
DOI: 10.1016/J.STR.2010.03.008
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