Sodium in PDB 3tos: Crystal Structure of CALS11, Calicheamicin Methyltransferase
Protein crystallography data
The structure of Crystal Structure of CALS11, Calicheamicin Methyltransferase, PDB code: 3tos
was solved by
A.Chang,
D.J.Aceti,
E.T.Beebe,
S.-I.Makino,
R.L.Wrobel,
C.A.Bingman,
J.S.Thorson,
G.N.Phillips Jr.,
Center For Eukaryotic Structuralgenomics (Cesg),
Enzyme Discovery For Natural Product Biosynthesis(Natpro),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
43.10 /
1.55
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
78.321,
106.080,
106.330,
68.69,
69.63,
88.56
|
|
R / Rfree (%)
|
14.6 /
17.3
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of CALS11, Calicheamicin Methyltransferase
(pdb code 3tos). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 10 binding sites of Sodium where determined in the
Crystal Structure of CALS11, Calicheamicin Methyltransferase, PDB code: 3tos:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Sodium binding site 1 out
of 10 in 3tos
Go back to
Sodium Binding Sites List in 3tos
Sodium binding site 1 out
of 10 in the Crystal Structure of CALS11, Calicheamicin Methyltransferase
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Crystal Structure of CALS11, Calicheamicin Methyltransferase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na260
b:10.3
occ:1.00
|
O
|
A:ASP216
|
2.7
|
10.7
|
1.0
|
|
O2
|
A:EDO261
|
2.8
|
20.4
|
1.0
|
|
OE2
|
A:GLU217
|
2.8
|
10.0
|
0.6
|
|
OD1
|
A:ASP216
|
2.9
|
14.3
|
1.0
|
|
OXT
|
A:GLU259
|
2.9
|
27.7
|
1.0
|
|
O
|
A:HOH1959
|
3.1
|
19.2
|
1.0
|
|
O
|
A:HOH3075
|
3.1
|
30.9
|
1.0
|
|
CD
|
A:GLU217
|
3.3
|
9.5
|
0.6
|
|
CG
|
A:ASP216
|
3.6
|
12.7
|
1.0
|
|
OE1
|
A:GLU217
|
3.7
|
9.8
|
0.6
|
|
CB
|
A:ALA249
|
3.7
|
11.7
|
1.0
|
|
C2
|
A:EDO261
|
3.7
|
21.1
|
1.0
|
|
O
|
A:HOH595
|
3.7
|
36.2
|
1.0
|
|
C
|
A:ASP216
|
3.8
|
10.3
|
1.0
|
|
N
|
A:GLU259
|
3.9
|
23.2
|
1.0
|
|
O
|
A:HOH2717
|
3.9
|
22.9
|
1.0
|
|
OD2
|
A:ASP216
|
4.0
|
14.4
|
1.0
|
|
C
|
A:GLU259
|
4.1
|
27.6
|
1.0
|
|
CG
|
A:GLU217
|
4.2
|
8.2
|
0.6
|
|
OE2
|
A:GLU217
|
4.3
|
15.5
|
0.4
|
|
O
|
A:HOH3297
|
4.4
|
30.7
|
1.0
|
|
CB
|
A:ASP216
|
4.5
|
10.9
|
1.0
|
|
CA
|
A:ASP216
|
4.5
|
10.3
|
1.0
|
|
CA
|
A:GLU259
|
4.7
|
25.8
|
1.0
|
|
N
|
A:GLU217
|
4.8
|
10.4
|
0.4
|
|
N
|
A:GLU217
|
4.8
|
9.3
|
0.6
|
|
O
|
A:HOH265
|
4.8
|
40.1
|
1.0
|
|
CA
|
A:GLU217
|
4.9
|
10.7
|
0.4
|
|
CA
|
A:GLU217
|
4.9
|
8.7
|
0.6
|
|
O
|
A:HOH1402
|
5.0
|
14.6
|
1.0
|
|
O
|
A:HOH2166
|
5.0
|
19.7
|
1.0
|
|
O
|
A:HOH3115
|
5.0
|
36.4
|
1.0
|
|
Sodium binding site 2 out
of 10 in 3tos
Go back to
Sodium Binding Sites List in 3tos
Sodium binding site 2 out
of 10 in the Crystal Structure of CALS11, Calicheamicin Methyltransferase
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Crystal Structure of CALS11, Calicheamicin Methyltransferase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na260
b:9.9
occ:1.00
|
O
|
B:ASP216
|
2.7
|
11.1
|
1.0
|
|
OE2
|
B:GLU217
|
2.9
|
9.8
|
0.6
|
|
OD1
|
B:ASP216
|
2.9
|
15.7
|
1.0
|
|
O
|
B:GLU259
|
2.9
|
25.4
|
1.0
|
|
O2
|
B:EDO261
|
2.9
|
23.9
|
1.0
|
|
O
|
B:HOH3520
|
3.0
|
23.8
|
1.0
|
|
O
|
B:HOH1917
|
3.2
|
19.6
|
1.0
|
|
CD
|
B:GLU217
|
3.3
|
9.4
|
0.6
|
|
CG
|
B:ASP216
|
3.5
|
15.3
|
1.0
|
|
CB
|
B:ALA249
|
3.6
|
10.5
|
1.0
|
|
OE1
|
B:GLU217
|
3.6
|
9.2
|
0.6
|
|
C
|
B:ASP216
|
3.8
|
10.2
|
1.0
|
|
O
|
B:HOH2418
|
3.8
|
24.7
|
1.0
|
|
O
|
B:HOH3146
|
3.8
|
31.1
|
1.0
|
|
C2
|
B:EDO261
|
3.8
|
24.6
|
1.0
|
|
OD2
|
B:ASP216
|
3.9
|
16.2
|
1.0
|
|
N
|
B:GLU259
|
4.0
|
23.7
|
1.0
|
|
C
|
B:GLU259
|
4.1
|
25.4
|
1.0
|
|
CG
|
B:GLU217
|
4.2
|
8.5
|
0.6
|
|
O
|
B:HOH3201
|
4.2
|
32.0
|
1.0
|
|
OE2
|
B:GLU217
|
4.3
|
15.4
|
0.5
|
|
CA
|
B:ASP216
|
4.5
|
10.2
|
1.0
|
|
CB
|
B:ASP216
|
4.5
|
11.3
|
1.0
|
|
CA
|
B:GLU259
|
4.7
|
23.7
|
1.0
|
|
O
|
B:HOH544
|
4.8
|
32.3
|
1.0
|
|
N
|
B:GLU217
|
4.8
|
10.3
|
0.5
|
|
N
|
B:GLU217
|
4.8
|
9.3
|
0.6
|
|
O
|
B:HOH3643
|
4.8
|
32.3
|
1.0
|
|
CA
|
B:GLU217
|
4.9
|
10.9
|
0.5
|
|
CA
|
B:GLU217
|
5.0
|
9.4
|
0.6
|
|
O
|
B:HOH4602
|
5.0
|
52.8
|
1.0
|
|
Sodium binding site 3 out
of 10 in 3tos
Go back to
Sodium Binding Sites List in 3tos
Sodium binding site 3 out
of 10 in the Crystal Structure of CALS11, Calicheamicin Methyltransferase
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Crystal Structure of CALS11, Calicheamicin Methyltransferase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na260
b:9.2
occ:1.00
|
O
|
C:ASP216
|
2.7
|
11.8
|
1.0
|
|
OE2
|
C:GLU217
|
2.8
|
10.5
|
0.6
|
|
OD1
|
C:ASP216
|
2.9
|
15.6
|
1.0
|
|
O
|
C:GLU259
|
2.9
|
21.1
|
1.0
|
|
O1
|
C:EDO261
|
2.9
|
23.9
|
1.0
|
|
O
|
C:HOH472
|
3.0
|
21.3
|
1.0
|
|
O
|
C:HOH1805
|
3.0
|
16.3
|
1.0
|
|
CD
|
C:GLU217
|
3.3
|
9.3
|
0.6
|
|
CG
|
C:ASP216
|
3.6
|
13.6
|
1.0
|
|
C1
|
C:EDO261
|
3.6
|
19.4
|
1.0
|
|
OE1
|
C:GLU217
|
3.6
|
8.9
|
0.6
|
|
CB
|
C:ALA249
|
3.7
|
10.8
|
1.0
|
|
O
|
C:HOH596
|
3.8
|
32.4
|
1.0
|
|
C
|
C:ASP216
|
3.8
|
9.7
|
1.0
|
|
N
|
C:GLU259
|
4.0
|
21.9
|
1.0
|
|
O
|
C:HOH2712
|
4.0
|
22.7
|
1.0
|
|
OD2
|
C:ASP216
|
4.0
|
13.8
|
1.0
|
|
C
|
C:GLU259
|
4.0
|
23.3
|
1.0
|
|
CG
|
C:GLU217
|
4.1
|
9.1
|
0.6
|
|
O
|
C:HOH3194
|
4.1
|
31.5
|
1.0
|
|
CA
|
C:ASP216
|
4.5
|
9.5
|
1.0
|
|
CB
|
C:ASP216
|
4.5
|
11.0
|
1.0
|
|
OE1
|
C:GLU217
|
4.5
|
18.4
|
0.4
|
|
CA
|
C:GLU259
|
4.7
|
22.8
|
1.0
|
|
O
|
C:HOH688
|
4.7
|
47.1
|
1.0
|
|
N
|
C:GLU217
|
4.8
|
10.3
|
0.4
|
|
N
|
C:GLU217
|
4.8
|
9.3
|
0.6
|
|
O
|
C:HOH4195
|
4.9
|
32.5
|
1.0
|
|
CA
|
C:GLU217
|
4.9
|
9.3
|
0.6
|
|
CA
|
C:GLU217
|
5.0
|
11.0
|
0.4
|
|
O
|
C:HOH573
|
5.0
|
27.1
|
1.0
|
|
O
|
C:HOH1461
|
5.0
|
12.4
|
1.0
|
|
Sodium binding site 4 out
of 10 in 3tos
Go back to
Sodium Binding Sites List in 3tos
Sodium binding site 4 out
of 10 in the Crystal Structure of CALS11, Calicheamicin Methyltransferase
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Crystal Structure of CALS11, Calicheamicin Methyltransferase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na260
b:11.7
occ:1.00
|
O
|
D:ASP216
|
2.7
|
10.1
|
1.0
|
|
OE2
|
D:GLU217
|
2.8
|
11.8
|
0.6
|
|
OXT
|
D:GLU259
|
2.8
|
26.8
|
1.0
|
|
O2
|
D:EDO261
|
2.9
|
23.8
|
1.0
|
|
OD1
|
D:ASP216
|
2.9
|
15.8
|
1.0
|
|
O
|
D:HOH2055
|
3.1
|
21.4
|
1.0
|
|
O
|
D:HOH3306
|
3.2
|
33.8
|
1.0
|
|
CD
|
D:GLU217
|
3.3
|
9.9
|
0.6
|
|
CG
|
D:ASP216
|
3.6
|
14.9
|
1.0
|
|
OE1
|
D:GLU217
|
3.6
|
9.4
|
0.6
|
|
CB
|
D:ALA249
|
3.6
|
8.9
|
1.0
|
|
O
|
D:HOH3668
|
3.6
|
33.7
|
1.0
|
|
C2
|
D:EDO261
|
3.8
|
23.0
|
1.0
|
|
C
|
D:ASP216
|
3.8
|
10.8
|
1.0
|
|
O
|
D:HOH2389
|
3.9
|
23.6
|
1.0
|
|
N
|
D:GLU259
|
4.0
|
27.7
|
1.0
|
|
OD2
|
D:ASP216
|
4.0
|
17.5
|
1.0
|
|
C
|
D:GLU259
|
4.0
|
27.7
|
1.0
|
|
CG
|
D:GLU217
|
4.2
|
9.5
|
0.6
|
|
O
|
D:HOH3661
|
4.2
|
31.1
|
1.0
|
|
OE1
|
D:GLU217
|
4.4
|
17.9
|
0.4
|
|
CB
|
D:ASP216
|
4.5
|
12.5
|
1.0
|
|
CA
|
D:ASP216
|
4.5
|
11.2
|
1.0
|
|
CA
|
D:GLU259
|
4.7
|
28.4
|
1.0
|
|
N
|
D:GLU217
|
4.8
|
11.1
|
0.6
|
|
N
|
D:GLU217
|
4.8
|
12.0
|
0.4
|
|
O
|
D:HOH736
|
4.9
|
27.0
|
1.0
|
|
CA
|
D:GLU217
|
4.9
|
10.8
|
0.6
|
|
CA
|
D:GLU217
|
4.9
|
12.5
|
0.4
|
|
O
|
D:HOH1793
|
5.0
|
14.7
|
1.0
|
|
O
|
D:GLU259
|
5.0
|
28.4
|
1.0
|
|
O
|
D:HOH652
|
5.0
|
43.6
|
1.0
|
|
O
|
D:HOH1399
|
5.0
|
18.3
|
1.0
|
|
Sodium binding site 5 out
of 10 in 3tos
Go back to
Sodium Binding Sites List in 3tos
Sodium binding site 5 out
of 10 in the Crystal Structure of CALS11, Calicheamicin Methyltransferase
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of Crystal Structure of CALS11, Calicheamicin Methyltransferase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Na260
b:12.3
occ:1.00
|
O
|
E:ASP216
|
2.7
|
10.4
|
1.0
|
|
O
|
E:GLU259
|
2.9
|
33.4
|
1.0
|
|
OD1
|
E:ASP216
|
2.9
|
16.6
|
1.0
|
|
OE2
|
E:GLU217
|
2.9
|
13.3
|
0.6
|
|
O2
|
E:EDO261
|
2.9
|
24.7
|
1.0
|
|
O
|
E:HOH2297
|
3.1
|
20.8
|
1.0
|
|
O
|
E:HOH3412
|
3.2
|
32.7
|
1.0
|
|
CD
|
E:GLU217
|
3.3
|
11.2
|
0.6
|
|
OE1
|
E:GLU217
|
3.5
|
10.8
|
0.6
|
|
CG
|
E:ASP216
|
3.6
|
14.8
|
1.0
|
|
O
|
E:HOH3081
|
3.6
|
31.1
|
1.0
|
|
CB
|
E:ALA249
|
3.6
|
10.2
|
1.0
|
|
C2
|
E:EDO261
|
3.8
|
19.0
|
1.0
|
|
C
|
E:ASP216
|
3.8
|
9.7
|
1.0
|
|
O
|
E:HOH2568
|
3.9
|
27.4
|
1.0
|
|
N
|
E:GLU259
|
4.0
|
32.7
|
1.0
|
|
OD2
|
E:ASP216
|
4.0
|
16.7
|
1.0
|
|
C
|
E:GLU259
|
4.1
|
34.0
|
1.0
|
|
CG
|
E:GLU217
|
4.2
|
10.0
|
0.6
|
|
O
|
E:HOH3595
|
4.2
|
33.8
|
1.0
|
|
OE1
|
E:GLU217
|
4.3
|
15.9
|
0.5
|
|
CB
|
E:ASP216
|
4.5
|
11.4
|
1.0
|
|
CA
|
E:ASP216
|
4.5
|
10.1
|
1.0
|
|
CA
|
E:GLU259
|
4.7
|
33.8
|
1.0
|
|
N
|
E:GLU217
|
4.8
|
10.8
|
0.5
|
|
N
|
E:GLU217
|
4.8
|
10.1
|
0.6
|
|
CA
|
E:GLU217
|
4.9
|
9.7
|
0.6
|
|
CA
|
E:GLU217
|
4.9
|
11.3
|
0.5
|
|
O
|
E:HOH1773
|
5.0
|
19.1
|
1.0
|
|
O
|
E:HOH262
|
5.0
|
20.6
|
1.0
|
|
O
|
E:HOH3409
|
5.0
|
36.4
|
1.0
|
|
O
|
E:HOH1765
|
5.0
|
17.0
|
1.0
|
|
Sodium binding site 6 out
of 10 in 3tos
Go back to
Sodium Binding Sites List in 3tos
Sodium binding site 6 out
of 10 in the Crystal Structure of CALS11, Calicheamicin Methyltransferase
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 6 of Crystal Structure of CALS11, Calicheamicin Methyltransferase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Na260
b:9.0
occ:1.00
|
O
|
F:ASP216
|
2.7
|
10.3
|
1.0
|
|
OD1
|
F:ASP216
|
2.9
|
15.9
|
1.0
|
|
OE2
|
F:GLU217
|
2.9
|
9.3
|
0.6
|
|
O
|
F:GLU259
|
2.9
|
25.3
|
1.0
|
|
O1
|
F:EDO261
|
2.9
|
24.5
|
1.0
|
|
O
|
F:HOH3682
|
3.0
|
28.2
|
1.0
|
|
O
|
F:HOH1850
|
3.1
|
20.9
|
1.0
|
|
CD
|
F:GLU217
|
3.3
|
8.3
|
0.6
|
|
CG
|
F:ASP216
|
3.5
|
14.4
|
1.0
|
|
OE1
|
F:GLU217
|
3.6
|
8.4
|
0.6
|
|
CB
|
F:ALA249
|
3.6
|
10.4
|
1.0
|
|
O
|
F:HOH3812
|
3.8
|
35.2
|
1.0
|
|
C
|
F:ASP216
|
3.8
|
9.9
|
1.0
|
|
C1
|
F:EDO261
|
3.8
|
26.1
|
1.0
|
|
O
|
F:HOH2207
|
4.0
|
23.7
|
1.0
|
|
N
|
F:GLU259
|
4.0
|
24.9
|
1.0
|
|
OD2
|
F:ASP216
|
4.0
|
17.6
|
1.0
|
|
C
|
F:GLU259
|
4.1
|
26.4
|
1.0
|
|
CG
|
F:GLU217
|
4.1
|
8.1
|
0.6
|
|
OE1
|
F:GLU217
|
4.3
|
17.1
|
0.5
|
|
O
|
F:HOH2723
|
4.4
|
30.1
|
1.0
|
|
O
|
F:HOH4672
|
4.4
|
47.0
|
1.0
|
|
CA
|
F:ASP216
|
4.5
|
10.0
|
1.0
|
|
CB
|
F:ASP216
|
4.5
|
9.8
|
1.0
|
|
CA
|
F:GLU259
|
4.7
|
25.2
|
1.0
|
|
N
|
F:GLU217
|
4.8
|
10.6
|
0.5
|
|
N
|
F:GLU217
|
4.8
|
9.3
|
0.6
|
|
O
|
F:HOH5221
|
4.8
|
43.0
|
1.0
|
|
O
|
F:HOH568
|
4.9
|
37.2
|
1.0
|
|
CA
|
F:GLU217
|
4.9
|
9.1
|
0.6
|
|
CA
|
F:GLU217
|
4.9
|
11.5
|
0.5
|
|
O
|
F:HOH668
|
5.0
|
36.2
|
1.0
|
|
OXT
|
F:GLU259
|
5.0
|
28.2
|
1.0
|
|
Sodium binding site 7 out
of 10 in 3tos
Go back to
Sodium Binding Sites List in 3tos
Sodium binding site 7 out
of 10 in the Crystal Structure of CALS11, Calicheamicin Methyltransferase
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 7 of Crystal Structure of CALS11, Calicheamicin Methyltransferase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Na260
b:9.4
occ:1.00
|
O
|
G:ASP216
|
2.7
|
10.2
|
1.0
|
|
OD1
|
G:ASP216
|
2.8
|
16.1
|
1.0
|
|
O
|
G:GLU259
|
2.9
|
23.1
|
1.0
|
|
OE2
|
G:GLU217
|
2.9
|
8.8
|
0.6
|
|
O
|
G:HOH876
|
3.0
|
21.8
|
1.0
|
|
O2
|
G:EDO261
|
3.0
|
24.2
|
1.0
|
|
O
|
G:HOH1761
|
3.1
|
16.6
|
1.0
|
|
CD
|
G:GLU217
|
3.3
|
8.4
|
0.6
|
|
CG
|
G:ASP216
|
3.6
|
14.3
|
1.0
|
|
C2
|
G:EDO261
|
3.6
|
22.9
|
1.0
|
|
OE1
|
G:GLU217
|
3.6
|
8.3
|
0.6
|
|
CB
|
G:ALA249
|
3.7
|
9.7
|
1.0
|
|
O
|
G:HOH3904
|
3.7
|
30.8
|
1.0
|
|
C
|
G:ASP216
|
3.8
|
9.5
|
1.0
|
|
O
|
G:HOH2107
|
4.0
|
22.0
|
1.0
|
|
N
|
G:GLU259
|
4.0
|
24.4
|
1.0
|
|
OD2
|
G:ASP216
|
4.0
|
14.7
|
1.0
|
|
C
|
G:GLU259
|
4.1
|
25.1
|
1.0
|
|
CG
|
G:GLU217
|
4.1
|
7.4
|
0.6
|
|
O
|
G:HOH3059
|
4.2
|
30.6
|
1.0
|
|
OE1
|
G:GLU217
|
4.4
|
15.3
|
0.5
|
|
CA
|
G:ASP216
|
4.5
|
9.5
|
1.0
|
|
CB
|
G:ASP216
|
4.5
|
10.7
|
1.0
|
|
CA
|
G:GLU259
|
4.7
|
24.1
|
1.0
|
|
O
|
G:HOH264
|
4.7
|
45.2
|
1.0
|
|
N
|
G:GLU217
|
4.8
|
10.3
|
0.5
|
|
N
|
G:GLU217
|
4.8
|
8.9
|
0.6
|
|
O
|
G:HOH1345
|
4.9
|
12.1
|
1.0
|
|
O
|
G:HOH3236
|
4.9
|
34.0
|
1.0
|
|
CA
|
G:GLU217
|
4.9
|
9.7
|
0.6
|
|
O
|
G:HOH598
|
4.9
|
28.2
|
1.0
|
|
CA
|
G:GLU217
|
4.9
|
12.1
|
0.5
|
|
O
|
G:HOH2059
|
5.0
|
17.4
|
1.0
|
|
OXT
|
G:GLU259
|
5.0
|
26.5
|
1.0
|
|
Sodium binding site 8 out
of 10 in 3tos
Go back to
Sodium Binding Sites List in 3tos
Sodium binding site 8 out
of 10 in the Crystal Structure of CALS11, Calicheamicin Methyltransferase
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 8 of Crystal Structure of CALS11, Calicheamicin Methyltransferase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Na260
b:10.9
occ:1.00
|
O
|
H:ASP216
|
2.7
|
11.3
|
1.0
|
|
O2
|
H:EDO261
|
2.8
|
21.8
|
1.0
|
|
OXT
|
H:GLU259
|
2.9
|
23.4
|
1.0
|
|
OD1
|
H:ASP216
|
2.9
|
16.2
|
1.0
|
|
OE2
|
H:GLU217
|
2.9
|
11.3
|
0.6
|
|
O
|
H:HOH522
|
3.1
|
27.0
|
1.0
|
|
O
|
H:HOH1525
|
3.1
|
16.3
|
1.0
|
|
CD
|
H:GLU217
|
3.3
|
11.0
|
0.6
|
|
CG
|
H:ASP216
|
3.5
|
15.7
|
1.0
|
|
O
|
H:HOH1025
|
3.6
|
36.8
|
1.0
|
|
OE1
|
H:GLU217
|
3.7
|
11.4
|
0.6
|
|
C2
|
H:EDO261
|
3.7
|
20.5
|
1.0
|
|
CB
|
H:ALA249
|
3.7
|
12.8
|
1.0
|
|
C
|
H:ASP216
|
3.8
|
10.7
|
1.0
|
|
OD2
|
H:ASP216
|
3.9
|
15.9
|
1.0
|
|
O
|
H:HOH3740
|
4.0
|
22.4
|
1.0
|
|
N
|
H:GLU259
|
4.0
|
23.7
|
1.0
|
|
CG
|
H:GLU217
|
4.0
|
10.2
|
0.6
|
|
C
|
H:GLU259
|
4.0
|
25.4
|
1.0
|
|
OE1
|
H:GLU217
|
4.3
|
16.2
|
0.4
|
|
O
|
H:HOH3770
|
4.4
|
30.6
|
1.0
|
|
CB
|
H:ASP216
|
4.4
|
12.4
|
1.0
|
|
CA
|
H:ASP216
|
4.5
|
11.8
|
1.0
|
|
CA
|
H:GLU259
|
4.7
|
24.9
|
1.0
|
|
N
|
H:GLU217
|
4.8
|
11.9
|
0.4
|
|
N
|
H:GLU217
|
4.8
|
11.1
|
0.6
|
|
O
|
H:HOH4313
|
4.9
|
48.3
|
1.0
|
|
CA
|
H:GLU217
|
4.9
|
11.2
|
0.6
|
|
CA
|
H:GLU217
|
5.0
|
12.7
|
0.4
|
|
O
|
H:HOH2658
|
5.0
|
19.2
|
1.0
|
|
O
|
H:HOH1597
|
5.0
|
16.1
|
1.0
|
|
O
|
H:GLU259
|
5.0
|
26.1
|
1.0
|
|
Sodium binding site 9 out
of 10 in 3tos
Go back to
Sodium Binding Sites List in 3tos
Sodium binding site 9 out
of 10 in the Crystal Structure of CALS11, Calicheamicin Methyltransferase
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 9 of Crystal Structure of CALS11, Calicheamicin Methyltransferase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Na259
b:9.6
occ:1.00
|
O
|
I:ASP216
|
2.7
|
9.9
|
1.0
|
|
OD1
|
I:ASP216
|
2.9
|
15.8
|
1.0
|
|
OE2
|
I:GLU217
|
2.9
|
9.8
|
0.6
|
|
O1
|
I:EDO260
|
2.9
|
21.8
|
1.0
|
|
O
|
I:GLU258
|
2.9
|
25.6
|
1.0
|
|
O
|
I:HOH2780
|
2.9
|
26.1
|
1.0
|
|
O
|
I:HOH1770
|
3.1
|
17.9
|
1.0
|
|
CD
|
I:GLU217
|
3.3
|
9.1
|
0.6
|
|
CG
|
I:ASP216
|
3.6
|
14.7
|
1.0
|
|
OE1
|
I:GLU217
|
3.6
|
9.9
|
0.6
|
|
CB
|
I:ALA249
|
3.6
|
11.4
|
1.0
|
|
C1
|
I:EDO260
|
3.6
|
26.5
|
1.0
|
|
O
|
I:HOH559
|
3.7
|
36.2
|
1.0
|
|
C
|
I:ASP216
|
3.8
|
9.0
|
1.0
|
|
O
|
I:HOH2368
|
3.9
|
21.9
|
1.0
|
|
OD2
|
I:ASP216
|
4.0
|
17.8
|
1.0
|
|
N
|
I:GLU258
|
4.0
|
26.1
|
1.0
|
|
C
|
I:GLU258
|
4.0
|
26.8
|
1.0
|
|
CG
|
I:GLU217
|
4.2
|
6.8
|
0.6
|
|
OE1
|
I:GLU217
|
4.3
|
16.0
|
0.4
|
|
O
|
I:HOH3038
|
4.3
|
29.3
|
1.0
|
|
O
|
I:HOH5958
|
4.3
|
45.1
|
1.0
|
|
CB
|
I:ASP216
|
4.5
|
11.3
|
1.0
|
|
CA
|
I:ASP216
|
4.5
|
9.1
|
1.0
|
|
CA
|
I:GLU258
|
4.7
|
26.1
|
1.0
|
|
N
|
I:GLU217
|
4.8
|
9.9
|
0.4
|
|
N
|
I:GLU217
|
4.8
|
8.8
|
0.6
|
|
O
|
I:HOH4255
|
4.9
|
43.8
|
1.0
|
|
O
|
I:HOH2242
|
4.9
|
16.9
|
1.0
|
|
O
|
I:HOH868
|
4.9
|
29.4
|
1.0
|
|
CA
|
I:GLU217
|
4.9
|
10.4
|
0.4
|
|
CA
|
I:GLU217
|
5.0
|
8.1
|
0.6
|
|
OXT
|
I:GLU258
|
5.0
|
27.9
|
1.0
|
|
Sodium binding site 10 out
of 10 in 3tos
Go back to
Sodium Binding Sites List in 3tos
Sodium binding site 10 out
of 10 in the Crystal Structure of CALS11, Calicheamicin Methyltransferase
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 10 of Crystal Structure of CALS11, Calicheamicin Methyltransferase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Na260
b:11.0
occ:1.00
|
O
|
J:ASP216
|
2.8
|
10.7
|
1.0
|
|
O1
|
J:EDO262
|
2.8
|
25.9
|
1.0
|
|
OD1
|
J:ASP216
|
2.8
|
14.9
|
1.0
|
|
OE2
|
J:GLU217
|
2.9
|
11.2
|
0.6
|
|
OXT
|
J:GLU259
|
2.9
|
22.4
|
1.0
|
|
O
|
J:HOH2617
|
3.1
|
27.9
|
1.0
|
|
O
|
J:HOH1686
|
3.1
|
16.3
|
1.0
|
|
CD
|
J:GLU217
|
3.3
|
9.9
|
0.6
|
|
CG
|
J:ASP216
|
3.5
|
15.0
|
1.0
|
|
C1
|
J:EDO262
|
3.6
|
23.5
|
1.0
|
|
OE1
|
J:GLU217
|
3.6
|
10.1
|
0.6
|
|
O
|
J:HOH3578
|
3.6
|
30.4
|
1.0
|
|
CB
|
J:ALA249
|
3.7
|
10.9
|
1.0
|
|
O
|
J:HOH3055
|
3.8
|
22.4
|
1.0
|
|
C
|
J:ASP216
|
3.8
|
10.4
|
1.0
|
|
OD2
|
J:ASP216
|
4.0
|
16.5
|
1.0
|
|
N
|
J:GLU259
|
4.1
|
23.9
|
1.0
|
|
CG
|
J:GLU217
|
4.1
|
8.5
|
0.6
|
|
C
|
J:GLU259
|
4.1
|
24.9
|
1.0
|
|
O
|
J:HOH3419
|
4.4
|
29.8
|
1.0
|
|
OE1
|
J:GLU217
|
4.4
|
16.1
|
0.4
|
|
CB
|
J:ASP216
|
4.5
|
11.7
|
1.0
|
|
CA
|
J:ASP216
|
4.5
|
10.9
|
1.0
|
|
CA
|
J:GLU259
|
4.7
|
24.9
|
1.0
|
|
N
|
J:GLU217
|
4.8
|
11.0
|
0.4
|
|
N
|
J:GLU217
|
4.8
|
9.8
|
0.6
|
|
CA
|
J:GLU217
|
4.9
|
9.7
|
0.6
|
|
CA
|
J:GLU217
|
4.9
|
11.9
|
0.4
|
|
O
|
J:HOH546
|
4.9
|
38.4
|
1.0
|
|
O
|
J:HOH4877
|
4.9
|
42.0
|
1.0
|
|
O
|
J:HOH927
|
4.9
|
34.3
|
1.0
|
|
Reference:
A.Chang,
D.J.Aceti,
E.T.Beebe,
S.-I.Makino,
R.L.Wrobel,
C.A.Bingman,
J.S.Thorson,
G.N.Phillips Jr..
Crystal Structure of CALS11, Calicheamicin Methyltransferase To Be Published.
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