Calcium in PDB 6fny: Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti
Enzymatic activity of Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti
All present enzymatic activity of Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti:
3.1.6.6;
Protein crystallography data
The structure of Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti, PDB code: 6fny
was solved by
E.Valkov,
B.Van Loo,
F.Hollfelder,
M.Hyvonen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
88.55 /
2.79
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
119.556,
163.248,
177.625,
90.00,
94.40,
90.00
|
|
R / Rfree (%)
|
20.5 /
25.2
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti
(pdb code 6fny). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the
Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti, PDB code: 6fny:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 6fny
Go back to
Calcium Binding Sites List in 6fny
Calcium binding site 1 out
of 8 in the Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca601
b:45.8
occ:0.80
|
NE2
|
A:HIS297
|
2.2
|
33.4
|
1.0
|
|
N
|
A:DDZ54
|
2.3
|
33.6
|
0.5
|
|
CA
|
A:DDZ54
|
2.4
|
33.5
|
0.5
|
|
OD2
|
A:ASP296
|
2.4
|
30.8
|
1.0
|
|
OG1
|
A:DDZ54
|
2.5
|
36.1
|
0.5
|
|
CA
|
A:DDZ54
|
2.5
|
33.4
|
0.5
|
|
N
|
A:DDZ54
|
2.5
|
32.7
|
0.5
|
|
OD2
|
A:ASP14
|
2.6
|
44.8
|
1.0
|
|
SG
|
A:DDZ54
|
2.7
|
38.0
|
0.5
|
|
OD1
|
A:ASP14
|
2.7
|
45.5
|
1.0
|
|
CB
|
A:DDZ54
|
2.8
|
33.1
|
0.5
|
|
CB
|
A:DDZ54
|
2.8
|
33.0
|
0.5
|
|
OG2
|
A:DDZ54
|
2.9
|
27.1
|
0.5
|
|
CD2
|
A:HIS297
|
3.0
|
27.0
|
1.0
|
|
CG
|
A:ASP14
|
3.0
|
36.5
|
1.0
|
|
CE1
|
A:HIS297
|
3.3
|
28.6
|
1.0
|
|
C
|
A:LEU53
|
3.4
|
27.2
|
1.0
|
|
CG
|
A:ASP296
|
3.6
|
28.4
|
1.0
|
|
C
|
A:DDZ54
|
3.9
|
35.0
|
0.5
|
|
C
|
A:DDZ54
|
4.0
|
34.2
|
0.5
|
|
CG
|
A:HIS297
|
4.1
|
29.6
|
1.0
|
|
O
|
A:LEU53
|
4.2
|
26.2
|
1.0
|
|
OD1
|
A:ASP296
|
4.2
|
26.6
|
1.0
|
|
ND1
|
A:HIS297
|
4.2
|
30.8
|
1.0
|
|
CA
|
A:LEU53
|
4.2
|
27.2
|
1.0
|
|
NE
|
A:ARG58
|
4.4
|
25.9
|
1.0
|
|
O
|
A:DDZ54
|
4.4
|
27.3
|
0.5
|
|
CB
|
A:ASP14
|
4.5
|
26.9
|
1.0
|
|
O
|
A:DDZ54
|
4.5
|
26.0
|
0.5
|
|
CB
|
A:ASP296
|
4.6
|
23.8
|
1.0
|
|
CD2
|
A:HIS201
|
4.8
|
31.1
|
1.0
|
|
O
|
A:HOH833
|
4.9
|
35.9
|
1.0
|
|
N
|
A:ALA55
|
4.9
|
27.4
|
1.0
|
|
NZ
|
A:LYS102
|
4.9
|
34.6
|
1.0
|
|
NZ
|
A:LYS309
|
4.9
|
23.3
|
1.0
|
|
CE
|
A:LYS309
|
4.9
|
31.1
|
1.0
|
|
NH2
|
A:ARG58
|
4.9
|
21.2
|
1.0
|
|
Calcium binding site 2 out
of 8 in 6fny
Go back to
Calcium Binding Sites List in 6fny
Calcium binding site 2 out
of 8 in the Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca601
b:48.9
occ:0.80
|
NE2
|
B:HIS297
|
2.2
|
23.1
|
1.0
|
|
OD2
|
B:ASP296
|
2.3
|
14.6
|
1.0
|
|
N
|
B:DDZ54
|
2.3
|
25.9
|
0.5
|
|
OG2
|
B:DDZ54
|
2.3
|
32.3
|
0.5
|
|
CA
|
B:DDZ54
|
2.4
|
25.6
|
0.5
|
|
CA
|
B:DDZ54
|
2.5
|
25.2
|
0.5
|
|
N
|
B:DDZ54
|
2.6
|
23.1
|
0.5
|
|
CB
|
B:DDZ54
|
2.6
|
36.6
|
0.5
|
|
OG1
|
B:DDZ54
|
2.6
|
25.0
|
0.5
|
|
SG
|
B:DDZ54
|
2.7
|
32.4
|
0.5
|
|
CB
|
B:DDZ54
|
2.8
|
46.4
|
0.5
|
|
OD1
|
B:ASP14
|
2.9
|
38.0
|
1.0
|
|
OD2
|
B:ASP14
|
3.1
|
33.5
|
1.0
|
|
CD2
|
B:HIS297
|
3.1
|
15.5
|
1.0
|
|
CE1
|
B:HIS297
|
3.2
|
14.5
|
1.0
|
|
CG
|
B:ASP14
|
3.4
|
21.2
|
1.0
|
|
CG
|
B:ASP296
|
3.4
|
16.7
|
1.0
|
|
C
|
B:LEU53
|
3.5
|
17.1
|
1.0
|
|
C
|
B:DDZ54
|
3.9
|
29.2
|
0.5
|
|
C
|
B:DDZ54
|
3.9
|
28.4
|
0.5
|
|
OD1
|
B:ASP296
|
4.1
|
19.1
|
1.0
|
|
CG
|
B:HIS297
|
4.2
|
12.6
|
1.0
|
|
ND1
|
B:HIS297
|
4.2
|
11.9
|
1.0
|
|
O
|
B:LEU53
|
4.3
|
17.9
|
1.0
|
|
CA
|
B:LEU53
|
4.4
|
16.8
|
1.0
|
|
O
|
B:DDZ54
|
4.4
|
19.0
|
0.5
|
|
NE
|
B:ARG58
|
4.5
|
18.9
|
1.0
|
|
O
|
B:DDZ54
|
4.5
|
21.1
|
0.5
|
|
CB
|
B:ASP296
|
4.5
|
14.7
|
1.0
|
|
NZ
|
B:LYS102
|
4.7
|
26.1
|
1.0
|
|
O
|
B:HOH897
|
4.7
|
24.2
|
1.0
|
|
NZ
|
B:LYS309
|
4.8
|
15.6
|
1.0
|
|
N
|
B:ALA55
|
4.8
|
19.9
|
1.0
|
|
NH2
|
B:ARG58
|
4.9
|
18.7
|
1.0
|
|
CB
|
B:ASP14
|
4.9
|
13.3
|
1.0
|
|
CD2
|
B:HIS201
|
4.9
|
9.6
|
1.0
|
|
CE
|
B:LYS309
|
5.0
|
16.9
|
1.0
|
|
Calcium binding site 3 out
of 8 in 6fny
Go back to
Calcium Binding Sites List in 6fny
Calcium binding site 3 out
of 8 in the Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca601
b:21.6
occ:0.80
|
OD2
|
C:ASP296
|
2.2
|
29.3
|
1.0
|
|
NE2
|
C:HIS297
|
2.3
|
26.5
|
1.0
|
|
OD1
|
C:ASP14
|
2.4
|
28.6
|
1.0
|
|
OD2
|
C:ASP14
|
2.4
|
24.9
|
1.0
|
|
OD1
|
C:ASP296
|
2.6
|
16.4
|
1.0
|
|
CG
|
C:ASP14
|
2.6
|
26.9
|
1.0
|
|
SG
|
C:DDZ54
|
2.7
|
32.1
|
0.5
|
|
CG
|
C:ASP296
|
2.7
|
24.7
|
1.0
|
|
OG2
|
C:DDZ54
|
2.7
|
32.4
|
0.5
|
|
CE1
|
C:HIS297
|
2.8
|
23.4
|
1.0
|
|
CD2
|
C:HIS297
|
2.9
|
26.1
|
1.0
|
|
ND1
|
C:HIS297
|
3.6
|
20.0
|
1.0
|
|
CG
|
C:HIS297
|
3.7
|
21.9
|
1.0
|
|
CB
|
C:DDZ54
|
3.7
|
31.9
|
0.5
|
|
CA
|
C:DDZ54
|
3.7
|
51.2
|
0.5
|
|
CA
|
C:DDZ54
|
3.8
|
52.9
|
0.5
|
|
CB
|
C:DDZ54
|
3.8
|
31.9
|
0.5
|
|
CB
|
C:ASP14
|
3.9
|
21.0
|
1.0
|
|
N
|
C:GLN15
|
4.0
|
18.3
|
1.0
|
|
CB
|
C:ASP296
|
4.2
|
20.4
|
1.0
|
|
CA
|
C:ASP14
|
4.3
|
25.1
|
1.0
|
|
N
|
C:DDZ54
|
4.3
|
34.5
|
0.5
|
|
N
|
C:DDZ54
|
4.4
|
34.1
|
0.5
|
|
NH2
|
C:ARG58
|
4.4
|
20.7
|
1.0
|
|
NE
|
C:ARG58
|
4.4
|
21.0
|
1.0
|
|
C
|
C:ASP14
|
4.4
|
22.3
|
1.0
|
|
OG1
|
C:DDZ54
|
4.6
|
28.9
|
0.5
|
|
N
|
C:HIS297
|
4.6
|
18.7
|
1.0
|
|
CD2
|
C:HIS201
|
4.7
|
30.5
|
1.0
|
|
CA
|
C:GLN15
|
4.7
|
21.6
|
1.0
|
|
CB
|
C:GLN15
|
4.8
|
28.5
|
1.0
|
|
NZ
|
C:LYS102
|
4.8
|
28.0
|
1.0
|
|
CZ
|
C:ARG58
|
4.9
|
25.9
|
1.0
|
|
C
|
C:DDZ54
|
4.9
|
31.1
|
0.5
|
|
C
|
C:DDZ54
|
4.9
|
31.1
|
0.5
|
|
CB
|
C:HIS297
|
5.0
|
19.8
|
1.0
|
|
C
|
C:LEU53
|
5.0
|
32.7
|
1.0
|
|
Calcium binding site 4 out
of 8 in 6fny
Go back to
Calcium Binding Sites List in 6fny
Calcium binding site 4 out
of 8 in the Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca601
b:48.9
occ:0.80
|
NE2
|
D:HIS297
|
2.2
|
33.4
|
1.0
|
|
N
|
D:DDZ54
|
2.3
|
30.5
|
0.5
|
|
OG2
|
D:DDZ54
|
2.4
|
35.0
|
0.5
|
|
OD2
|
D:ASP296
|
2.4
|
24.9
|
1.0
|
|
CA
|
D:DDZ54
|
2.4
|
28.5
|
0.5
|
|
CA
|
D:DDZ54
|
2.5
|
28.6
|
0.5
|
|
N
|
D:DDZ54
|
2.5
|
29.3
|
0.5
|
|
SG
|
D:DDZ54
|
2.7
|
35.7
|
0.5
|
|
CB
|
D:DDZ54
|
2.8
|
38.8
|
0.5
|
|
CD2
|
D:HIS297
|
2.8
|
22.3
|
1.0
|
|
CB
|
D:DDZ54
|
2.8
|
34.2
|
0.5
|
|
OD2
|
D:ASP14
|
2.8
|
29.6
|
1.0
|
|
OG1
|
D:DDZ54
|
3.0
|
26.2
|
0.5
|
|
CE1
|
D:HIS297
|
3.2
|
28.6
|
1.0
|
|
C
|
D:LEU53
|
3.4
|
28.0
|
1.0
|
|
CG
|
D:ASP296
|
3.4
|
21.3
|
1.0
|
|
OD1
|
D:ASP14
|
3.5
|
33.0
|
1.0
|
|
CG
|
D:ASP14
|
3.6
|
21.9
|
1.0
|
|
C
|
D:DDZ54
|
3.9
|
28.1
|
0.5
|
|
CG
|
D:HIS297
|
3.9
|
25.0
|
1.0
|
|
C
|
D:DDZ54
|
3.9
|
27.7
|
0.5
|
|
OD1
|
D:ASP296
|
4.0
|
19.7
|
1.0
|
|
ND1
|
D:HIS297
|
4.1
|
28.6
|
1.0
|
|
O
|
D:LEU53
|
4.1
|
27.4
|
1.0
|
|
CA
|
D:LEU53
|
4.3
|
27.4
|
1.0
|
|
O
|
D:DDZ54
|
4.4
|
25.1
|
0.5
|
|
O
|
D:DDZ54
|
4.5
|
25.2
|
0.5
|
|
NZ
|
D:LYS102
|
4.5
|
17.5
|
1.0
|
|
CB
|
D:ASP296
|
4.5
|
19.4
|
1.0
|
|
NZ
|
D:LYS309
|
4.6
|
25.6
|
1.0
|
|
CE
|
D:LYS309
|
4.6
|
20.7
|
1.0
|
|
NE
|
D:ARG58
|
4.8
|
17.8
|
1.0
|
|
CD2
|
D:HIS201
|
4.8
|
16.6
|
1.0
|
|
N
|
D:ALA55
|
4.9
|
24.8
|
1.0
|
|
O
|
D:HOH863
|
4.9
|
31.2
|
1.0
|
|
Calcium binding site 5 out
of 8 in 6fny
Go back to
Calcium Binding Sites List in 6fny
Calcium binding site 5 out
of 8 in the Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca601
b:62.0
occ:0.80
|
NE2
|
E:HIS297
|
2.3
|
22.1
|
1.0
|
|
N
|
E:DDZ54
|
2.4
|
54.9
|
0.5
|
|
N
|
E:DDZ54
|
2.5
|
57.1
|
0.5
|
|
OD2
|
E:ASP296
|
2.5
|
18.7
|
1.0
|
|
CA
|
E:DDZ54
|
2.5
|
44.6
|
0.5
|
|
CA
|
E:DDZ54
|
2.5
|
43.8
|
0.5
|
|
C
|
E:LEU53
|
2.5
|
37.2
|
1.0
|
|
O
|
E:LEU53
|
2.7
|
41.7
|
1.0
|
|
SG
|
E:DDZ54
|
2.7
|
31.3
|
0.5
|
|
CD2
|
E:HIS297
|
2.7
|
17.3
|
1.0
|
|
OG1
|
E:DDZ54
|
2.7
|
32.6
|
0.5
|
|
CB
|
E:DDZ54
|
3.0
|
33.1
|
0.5
|
|
OD2
|
E:ASP14
|
3.0
|
32.3
|
1.0
|
|
CB
|
E:DDZ54
|
3.1
|
32.8
|
0.5
|
|
OG2
|
E:DDZ54
|
3.5
|
29.9
|
0.5
|
|
CE1
|
E:HIS297
|
3.5
|
24.1
|
1.0
|
|
CA
|
E:LEU53
|
3.5
|
28.9
|
1.0
|
|
CG
|
E:ASP296
|
3.6
|
17.5
|
1.0
|
|
OD1
|
E:ASP14
|
3.6
|
35.9
|
1.0
|
|
CG
|
E:ASP14
|
3.8
|
20.1
|
1.0
|
|
C
|
E:DDZ54
|
3.9
|
28.6
|
0.5
|
|
C
|
E:DDZ54
|
3.9
|
30.6
|
0.5
|
|
CG
|
E:HIS297
|
4.0
|
19.7
|
1.0
|
|
OD1
|
E:ASP296
|
4.2
|
16.9
|
1.0
|
|
N
|
E:LEU53
|
4.3
|
27.8
|
1.0
|
|
ND1
|
E:HIS297
|
4.4
|
27.6
|
1.0
|
|
O
|
E:DDZ54
|
4.4
|
25.3
|
0.5
|
|
O
|
E:DDZ54
|
4.4
|
25.3
|
0.5
|
|
CB
|
E:ASP296
|
4.6
|
14.4
|
1.0
|
|
CE
|
E:LYS309
|
4.6
|
19.4
|
1.0
|
|
CB
|
E:LEU53
|
4.7
|
18.5
|
1.0
|
|
NZ
|
E:LYS309
|
4.7
|
32.3
|
1.0
|
|
NE
|
E:ARG58
|
4.8
|
13.6
|
1.0
|
|
O
|
E:HOH867
|
4.8
|
19.4
|
1.0
|
|
OE1
|
E:GLN15
|
4.9
|
32.3
|
1.0
|
|
N
|
E:ALA55
|
4.9
|
32.7
|
1.0
|
|
Calcium binding site 6 out
of 8 in 6fny
Go back to
Calcium Binding Sites List in 6fny
Calcium binding site 6 out
of 8 in the Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca601
b:42.2
occ:0.80
|
OG2
|
F:DDZ54
|
2.2
|
45.1
|
0.5
|
|
NE2
|
F:HIS297
|
2.2
|
42.9
|
1.0
|
|
N
|
F:DDZ54
|
2.3
|
37.4
|
0.5
|
|
OD2
|
F:ASP296
|
2.3
|
29.4
|
1.0
|
|
CA
|
F:DDZ54
|
2.4
|
34.8
|
0.5
|
|
CA
|
F:DDZ54
|
2.5
|
35.3
|
0.5
|
|
N
|
F:DDZ54
|
2.6
|
36.8
|
0.5
|
|
CD2
|
F:HIS297
|
2.7
|
34.3
|
1.0
|
|
CB
|
F:DDZ54
|
2.7
|
38.0
|
0.5
|
|
SG
|
F:DDZ54
|
2.7
|
50.1
|
0.5
|
|
OD1
|
F:ASP14
|
2.7
|
32.3
|
1.0
|
|
OD2
|
F:ASP14
|
2.8
|
43.8
|
1.0
|
|
CB
|
F:DDZ54
|
2.8
|
38.3
|
0.5
|
|
OG1
|
F:DDZ54
|
2.9
|
35.3
|
0.5
|
|
CG
|
F:ASP14
|
3.2
|
33.4
|
1.0
|
|
CE1
|
F:HIS297
|
3.4
|
38.6
|
1.0
|
|
C
|
F:LEU53
|
3.5
|
35.5
|
1.0
|
|
CG
|
F:ASP296
|
3.5
|
27.8
|
1.0
|
|
C
|
F:DDZ54
|
3.9
|
31.8
|
0.5
|
|
CG
|
F:HIS297
|
3.9
|
26.8
|
1.0
|
|
C
|
F:DDZ54
|
3.9
|
32.3
|
0.5
|
|
OD1
|
F:ASP296
|
4.1
|
27.0
|
1.0
|
|
O
|
F:LEU53
|
4.2
|
37.0
|
1.0
|
|
ND1
|
F:HIS297
|
4.2
|
30.0
|
1.0
|
|
CA
|
F:LEU53
|
4.3
|
34.4
|
1.0
|
|
O
|
F:DDZ54
|
4.4
|
33.2
|
0.5
|
|
CE
|
F:LYS309
|
4.4
|
37.1
|
1.0
|
|
CB
|
F:ASP296
|
4.5
|
29.3
|
1.0
|
|
O
|
F:DDZ54
|
4.5
|
33.1
|
0.5
|
|
CD
|
F:LYS309
|
4.7
|
36.6
|
1.0
|
|
NE
|
F:ARG58
|
4.7
|
28.0
|
1.0
|
|
CB
|
F:ASP14
|
4.7
|
25.4
|
1.0
|
|
NZ
|
F:LYS102
|
4.8
|
47.4
|
1.0
|
|
N
|
F:ALA55
|
4.8
|
28.0
|
1.0
|
|
CD2
|
F:HIS201
|
4.9
|
32.5
|
1.0
|
|
Calcium binding site 7 out
of 8 in 6fny
Go back to
Calcium Binding Sites List in 6fny
Calcium binding site 7 out
of 8 in the Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Ca601
b:47.7
occ:0.80
|
NE2
|
G:HIS297
|
2.3
|
37.8
|
1.0
|
|
OD2
|
G:ASP296
|
2.3
|
27.2
|
1.0
|
|
OD2
|
G:ASP14
|
2.5
|
41.5
|
1.0
|
|
OD1
|
G:ASP14
|
2.5
|
29.3
|
1.0
|
|
OG2
|
G:DDZ54
|
2.5
|
31.7
|
0.5
|
|
CA
|
G:DDZ54
|
2.5
|
34.6
|
0.5
|
|
CA
|
G:DDZ54
|
2.5
|
33.9
|
0.5
|
|
OG1
|
G:DDZ54
|
2.6
|
32.4
|
0.5
|
|
CB
|
G:DDZ54
|
2.6
|
37.0
|
0.5
|
|
CB
|
G:DDZ54
|
2.6
|
33.9
|
0.5
|
|
CE1
|
G:HIS297
|
2.7
|
29.2
|
1.0
|
|
SG
|
G:DDZ54
|
2.7
|
29.8
|
0.5
|
|
CG
|
G:ASP14
|
2.8
|
29.3
|
1.0
|
|
N
|
G:DDZ54
|
3.2
|
33.9
|
0.5
|
|
N
|
G:DDZ54
|
3.2
|
33.9
|
0.5
|
|
CD2
|
G:HIS297
|
3.5
|
34.9
|
1.0
|
|
CG
|
G:ASP296
|
3.5
|
27.8
|
1.0
|
|
C
|
G:DDZ54
|
3.8
|
35.5
|
0.5
|
|
C
|
G:DDZ54
|
3.8
|
36.4
|
0.5
|
|
ND1
|
G:HIS297
|
3.9
|
28.9
|
1.0
|
|
C
|
G:LEU53
|
4.1
|
29.5
|
1.0
|
|
O
|
G:DDZ54
|
4.2
|
33.2
|
0.5
|
|
O
|
G:DDZ54
|
4.2
|
33.2
|
0.5
|
|
OD1
|
G:ASP296
|
4.2
|
25.2
|
1.0
|
|
NE
|
G:ARG58
|
4.2
|
22.6
|
1.0
|
|
CG
|
G:HIS297
|
4.3
|
29.7
|
1.0
|
|
CB
|
G:ASP14
|
4.4
|
22.2
|
1.0
|
|
NZ
|
G:LYS102
|
4.4
|
27.7
|
1.0
|
|
O
|
G:LEU53
|
4.5
|
26.1
|
1.0
|
|
CB
|
G:ASP296
|
4.5
|
28.7
|
1.0
|
|
CE
|
G:LYS309
|
4.7
|
49.4
|
1.0
|
|
CD2
|
G:HIS201
|
4.7
|
23.1
|
1.0
|
|
N
|
G:ALA55
|
4.8
|
34.1
|
1.0
|
|
CG
|
G:GLN15
|
4.8
|
34.6
|
1.0
|
|
CD
|
G:ARG58
|
4.9
|
23.2
|
1.0
|
|
CE
|
G:LYS102
|
4.9
|
25.2
|
1.0
|
|
Calcium binding site 8 out
of 8 in 6fny
Go back to
Calcium Binding Sites List in 6fny
Calcium binding site 8 out
of 8 in the Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Crystal Structure of A Choline Sulfatase From Sinorhizobium Melliloti within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Ca601
b:50.3
occ:0.80
|
OD2
|
H:ASP296
|
2.2
|
37.9
|
1.0
|
|
NE2
|
H:HIS297
|
2.2
|
28.6
|
1.0
|
|
OD2
|
H:ASP14
|
2.3
|
45.3
|
1.0
|
|
OG2
|
H:DDZ54
|
2.4
|
43.0
|
0.5
|
|
CD2
|
H:HIS297
|
2.5
|
23.3
|
1.0
|
|
CA
|
H:DDZ54
|
2.5
|
67.1
|
0.5
|
|
CA
|
H:DDZ54
|
2.5
|
62.7
|
0.5
|
|
CB
|
H:DDZ54
|
2.7
|
56.2
|
0.5
|
|
SG
|
H:DDZ54
|
2.7
|
40.8
|
0.5
|
|
CG
|
H:ASP296
|
2.7
|
27.7
|
1.0
|
|
CB
|
H:DDZ54
|
2.7
|
54.8
|
0.5
|
|
OG1
|
H:DDZ54
|
2.8
|
38.5
|
0.5
|
|
OD1
|
H:ASP14
|
2.8
|
29.9
|
1.0
|
|
OD1
|
H:ASP296
|
2.9
|
22.3
|
1.0
|
|
CG
|
H:ASP14
|
2.9
|
33.6
|
1.0
|
|
N
|
H:DDZ54
|
3.2
|
59.9
|
0.5
|
|
N
|
H:DDZ54
|
3.2
|
56.2
|
0.5
|
|
CE1
|
H:HIS297
|
3.3
|
26.9
|
1.0
|
|
CG
|
H:HIS297
|
3.7
|
17.9
|
1.0
|
|
C
|
H:DDZ54
|
3.8
|
40.6
|
0.5
|
|
C
|
H:DDZ54
|
3.8
|
40.7
|
0.5
|
|
CB
|
H:ASP296
|
4.0
|
21.4
|
1.0
|
|
ND1
|
H:HIS297
|
4.0
|
18.2
|
1.0
|
|
C
|
H:LEU53
|
4.0
|
31.9
|
1.0
|
|
O
|
H:DDZ54
|
4.1
|
67.7
|
0.5
|
|
O
|
H:DDZ54
|
4.1
|
62.4
|
0.5
|
|
NE
|
H:ARG58
|
4.2
|
20.2
|
1.0
|
|
O
|
H:LEU53
|
4.3
|
29.5
|
1.0
|
|
CB
|
H:ASP14
|
4.3
|
20.8
|
1.0
|
|
NH2
|
H:ARG58
|
4.5
|
22.0
|
1.0
|
|
CZ
|
H:ARG58
|
4.8
|
22.9
|
1.0
|
|
N
|
H:ALA55
|
4.8
|
53.5
|
1.0
|
|
N
|
H:HIS297
|
4.8
|
15.2
|
1.0
|
|
CB
|
H:HIS297
|
4.8
|
18.2
|
1.0
|
|
CA
|
H:ASP14
|
4.9
|
27.2
|
1.0
|
|
N
|
H:GLN15
|
5.0
|
19.0
|
1.0
|
|
NZ
|
H:LYS102
|
5.0
|
26.8
|
1.0
|
|
Reference:
B.Van Loo,
M.Schober,
E.Valkov,
M.Heberlein,
E.Bornberg-Bauer,
K.Faber,
M.Hyvonen,
F.Hollfelder.
Structural and Mechanistic Analysis of the Choline Sulfatase From Sinorhizobium Melliloti: A Class I Sulfatase Specific For An Alkyl Sulfate Ester. J. Mol. Biol. V. 430 1004 2018.
ISSN: ESSN 1089-8638
PubMed: 29458126
DOI: 10.1016/J.JMB.2018.02.010
Page generated: Tue Jul 16 07:51:22 2024
|
