Calcium in PDB 7uww: SAS6 with Alpha-Cyclodextrin
Protein crystallography data
The structure of SAS6 with Alpha-Cyclodextrin, PDB code: 7uww
was solved by
A.L.Photenhauer,
N.M.Koropatkin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
35.00 /
1.61
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
69.45,
82.53,
213.47,
90,
90,
90
|
|
R / Rfree (%)
|
16.8 /
21.2
|
Calcium Binding Sites:
The binding sites of Calcium atom in the SAS6 with Alpha-Cyclodextrin
(pdb code 7uww). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the
SAS6 with Alpha-Cyclodextrin, PDB code: 7uww:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 7uww
Go back to
Calcium Binding Sites List in 7uww
Calcium binding site 1 out
of 8 in the SAS6 with Alpha-Cyclodextrin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of SAS6 with Alpha-Cyclodextrin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca716
b:12.9
occ:1.00
|
OE1
|
A:GLU555
|
2.2
|
12.5
|
1.0
|
|
OD2
|
A:ASP560
|
2.4
|
10.8
|
1.0
|
|
OG
|
A:SER527
|
2.4
|
12.9
|
1.0
|
|
O
|
A:GLY528
|
2.4
|
12.7
|
1.0
|
|
OD1
|
A:ASP558
|
2.4
|
13.0
|
1.0
|
|
O
|
A:GLU555
|
2.4
|
11.1
|
1.0
|
|
OD1
|
A:ASP560
|
2.6
|
10.9
|
1.0
|
|
CG
|
A:ASP560
|
2.9
|
14.1
|
1.0
|
|
HA
|
A:GLU555
|
3.2
|
14.9
|
1.0
|
|
HB3
|
A:GLU555
|
3.3
|
16.0
|
1.0
|
|
C
|
A:GLU555
|
3.4
|
12.5
|
1.0
|
|
HB3
|
A:SER527
|
3.4
|
18.4
|
1.0
|
|
CD
|
A:GLU555
|
3.5
|
13.8
|
1.0
|
|
C
|
A:GLY528
|
3.5
|
13.9
|
1.0
|
|
CB
|
A:SER527
|
3.5
|
15.3
|
1.0
|
|
CG
|
A:ASP558
|
3.5
|
13.8
|
1.0
|
|
CA
|
A:GLU555
|
3.6
|
12.4
|
1.0
|
|
H
|
A:GLY528
|
3.7
|
12.8
|
1.0
|
|
N
|
A:GLY528
|
3.8
|
10.6
|
1.0
|
|
CA
|
A:CA717
|
3.8
|
12.7
|
1.0
|
|
CB
|
A:GLU555
|
3.8
|
13.3
|
1.0
|
|
OD2
|
A:ASP558
|
3.9
|
13.1
|
1.0
|
|
H
|
A:ASP558
|
3.9
|
14.1
|
1.0
|
|
CA
|
A:GLY528
|
4.1
|
12.6
|
1.0
|
|
HB2
|
A:SER527
|
4.1
|
18.4
|
1.0
|
|
C
|
A:SER527
|
4.2
|
12.6
|
1.0
|
|
HA
|
A:MET538
|
4.2
|
15.5
|
1.0
|
|
CG
|
A:GLU555
|
4.2
|
15.6
|
1.0
|
|
HA3
|
A:GLY528
|
4.3
|
15.2
|
1.0
|
|
HA
|
A:MET529
|
4.4
|
11.5
|
1.0
|
|
O
|
A:ASP558
|
4.4
|
13.9
|
1.0
|
|
CB
|
A:ASP560
|
4.4
|
11.7
|
1.0
|
|
CA
|
A:SER527
|
4.4
|
8.8
|
1.0
|
|
OE2
|
A:GLU555
|
4.4
|
10.6
|
1.0
|
|
O
|
A:SER537
|
4.6
|
14.3
|
1.0
|
|
N
|
A:MET529
|
4.6
|
10.2
|
1.0
|
|
N
|
A:LYS556
|
4.6
|
13.0
|
1.0
|
|
N
|
A:ASP558
|
4.6
|
11.7
|
1.0
|
|
HA
|
A:SER527
|
4.7
|
10.5
|
1.0
|
|
HB2
|
A:ASP560
|
4.7
|
14.1
|
1.0
|
|
HB2
|
A:GLU555
|
4.7
|
16.0
|
1.0
|
|
HG3
|
A:GLU555
|
4.8
|
18.8
|
1.0
|
|
C
|
A:ASP558
|
4.8
|
11.9
|
1.0
|
|
O
|
A:SER527
|
4.8
|
13.2
|
1.0
|
|
CB
|
A:ASP558
|
4.8
|
14.5
|
1.0
|
|
HB3
|
A:ASP560
|
4.8
|
14.1
|
1.0
|
|
HE1
|
A:MET538
|
4.9
|
14.2
|
1.0
|
|
HA
|
A:LYS556
|
4.9
|
15.1
|
1.0
|
|
O
|
A:MET538
|
4.9
|
11.7
|
1.0
|
|
HE2
|
A:MET538
|
4.9
|
14.2
|
1.0
|
|
HG2
|
A:GLU555
|
4.9
|
18.8
|
1.0
|
|
H
|
A:GLU557
|
5.0
|
13.8
|
1.0
|
|
CA
|
A:ASP558
|
5.0
|
13.5
|
1.0
|
|
Calcium binding site 2 out
of 8 in 7uww
Go back to
Calcium Binding Sites List in 7uww
Calcium binding site 2 out
of 8 in the SAS6 with Alpha-Cyclodextrin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of SAS6 with Alpha-Cyclodextrin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca717
b:12.7
occ:1.00
|
OD1
|
A:ASP540
|
2.3
|
14.5
|
1.0
|
|
O
|
A:SER537
|
2.3
|
14.3
|
1.0
|
|
OD2
|
A:ASP558
|
2.3
|
13.1
|
1.0
|
|
OD1
|
A:ASP560
|
2.3
|
10.9
|
1.0
|
|
O
|
A:HOH943
|
2.4
|
14.8
|
1.0
|
|
OE2
|
A:GLU555
|
2.4
|
10.6
|
1.0
|
|
OE1
|
A:GLU555
|
2.6
|
12.5
|
1.0
|
|
CD
|
A:GLU555
|
2.8
|
13.8
|
1.0
|
|
CG
|
A:ASP558
|
3.3
|
13.8
|
1.0
|
|
CG
|
A:ASP540
|
3.4
|
18.9
|
1.0
|
|
CG
|
A:ASP560
|
3.5
|
14.1
|
1.0
|
|
C
|
A:SER537
|
3.5
|
12.2
|
1.0
|
|
OD1
|
A:ASP558
|
3.6
|
13.0
|
1.0
|
|
HA
|
A:ASP560
|
3.8
|
12.7
|
1.0
|
|
H
|
A:GLN541
|
3.8
|
16.9
|
1.0
|
|
CA
|
A:CA716
|
3.8
|
12.9
|
1.0
|
|
H
|
A:ASP540
|
3.8
|
15.2
|
1.0
|
|
HB2
|
A:SER537
|
3.8
|
16.8
|
1.0
|
|
OD2
|
A:ASP540
|
3.9
|
28.7
|
1.0
|
|
HG3
|
A:GLN541
|
3.9
|
19.6
|
1.0
|
|
HE21
|
A:GLN541
|
3.9
|
26.9
|
1.0
|
|
HB2
|
A:GLN541
|
4.0
|
16.4
|
1.0
|
|
HA
|
A:SER537
|
4.1
|
15.5
|
1.0
|
|
HA
|
A:MET538
|
4.1
|
15.5
|
1.0
|
|
CA
|
A:SER537
|
4.3
|
12.9
|
1.0
|
|
CG
|
A:GLU555
|
4.3
|
15.6
|
1.0
|
|
OD2
|
A:ASP560
|
4.3
|
10.8
|
1.0
|
|
HA
|
A:GLU555
|
4.4
|
14.9
|
1.0
|
|
CB
|
A:ASP560
|
4.4
|
11.7
|
1.0
|
|
N
|
A:ASP540
|
4.4
|
12.6
|
1.0
|
|
N
|
A:GLN541
|
4.4
|
14.1
|
1.0
|
|
HB3
|
A:ASP560
|
4.4
|
14.1
|
1.0
|
|
CA
|
A:ASP560
|
4.4
|
10.5
|
1.0
|
|
C
|
A:MET538
|
4.5
|
13.4
|
1.0
|
|
N
|
A:MET538
|
4.5
|
11.7
|
1.0
|
|
O
|
A:ILE559
|
4.5
|
12.4
|
1.0
|
|
CB
|
A:SER537
|
4.5
|
14.0
|
1.0
|
|
CA
|
A:MET538
|
4.5
|
12.9
|
1.0
|
|
HG2
|
A:GLU555
|
4.6
|
18.8
|
1.0
|
|
CB
|
A:ASP558
|
4.6
|
14.5
|
1.0
|
|
HB2
|
A:ASP558
|
4.6
|
17.5
|
1.0
|
|
CB
|
A:ASP540
|
4.7
|
16.4
|
1.0
|
|
CG
|
A:GLN541
|
4.7
|
16.3
|
1.0
|
|
NE2
|
A:GLN541
|
4.7
|
22.3
|
1.0
|
|
CB
|
A:GLN541
|
4.7
|
13.7
|
1.0
|
|
O
|
A:MET538
|
4.7
|
11.7
|
1.0
|
|
N
|
A:LEU539
|
4.7
|
13.1
|
1.0
|
|
HG3
|
A:GLU555
|
4.8
|
18.8
|
1.0
|
|
H
|
A:LEU539
|
4.8
|
15.7
|
1.0
|
|
N
|
A:ASP560
|
4.8
|
11.9
|
1.0
|
|
C
|
A:ILE559
|
4.9
|
15.2
|
1.0
|
|
CA
|
A:ASP540
|
4.9
|
11.8
|
1.0
|
|
HB3
|
A:ASP540
|
5.0
|
19.8
|
1.0
|
|
Calcium binding site 3 out
of 8 in 7uww
Go back to
Calcium Binding Sites List in 7uww
Calcium binding site 3 out
of 8 in the SAS6 with Alpha-Cyclodextrin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of SAS6 with Alpha-Cyclodextrin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca718
b:9.2
occ:1.00
|
O
|
A:ALA295
|
2.3
|
10.4
|
1.0
|
|
OD1
|
A:ASP294
|
2.3
|
11.1
|
1.0
|
|
OD1
|
A:ASP278
|
2.3
|
10.5
|
1.0
|
|
OD2
|
A:ASP530
|
2.3
|
9.8
|
1.0
|
|
O
|
A:VAL275
|
2.3
|
9.2
|
1.0
|
|
O
|
A:HOH960
|
2.4
|
10.9
|
1.0
|
|
CG
|
A:ASP278
|
3.4
|
9.9
|
1.0
|
|
CG
|
A:ASP530
|
3.4
|
11.0
|
1.0
|
|
C
|
A:ALA295
|
3.4
|
7.0
|
1.0
|
|
H
|
A:ALA295
|
3.5
|
11.2
|
1.0
|
|
HA
|
A:ASP294
|
3.5
|
12.3
|
1.0
|
|
C
|
A:VAL275
|
3.6
|
12.3
|
1.0
|
|
N
|
A:ALA295
|
3.6
|
9.3
|
1.0
|
|
CG
|
A:ASP294
|
3.6
|
12.9
|
1.0
|
|
H
|
A:VAL275
|
3.6
|
12.6
|
1.0
|
|
OD2
|
A:ASP278
|
3.7
|
8.8
|
1.0
|
|
OD1
|
A:ASP530
|
3.7
|
10.7
|
1.0
|
|
HA
|
A:ALA276
|
3.7
|
12.0
|
1.0
|
|
H
|
A:ASP278
|
3.8
|
13.2
|
1.0
|
|
C
|
A:ASP294
|
3.9
|
11.3
|
1.0
|
|
HB3
|
A:ALA295
|
4.0
|
8.4
|
1.0
|
|
CA
|
A:ALA295
|
4.0
|
8.3
|
1.0
|
|
HA
|
A:TYR296
|
4.1
|
8.7
|
1.0
|
|
CA
|
A:ASP294
|
4.1
|
10.2
|
1.0
|
|
N
|
A:VAL275
|
4.2
|
10.5
|
1.0
|
|
HG22
|
A:VAL275
|
4.3
|
16.5
|
1.0
|
|
OD2
|
A:ASP294
|
4.4
|
11.6
|
1.0
|
|
CA
|
A:ALA276
|
4.4
|
10.0
|
1.0
|
|
N
|
A:ALA276
|
4.4
|
11.4
|
1.0
|
|
CB
|
A:ASP294
|
4.4
|
12.3
|
1.0
|
|
H
|
A:ASN277
|
4.5
|
14.4
|
1.0
|
|
N
|
A:TYR296
|
4.5
|
8.1
|
1.0
|
|
CB
|
A:ALA295
|
4.5
|
7.0
|
1.0
|
|
CA
|
A:VAL275
|
4.5
|
10.4
|
1.0
|
|
N
|
A:ASP278
|
4.6
|
10.9
|
1.0
|
|
O
|
A:ASP294
|
4.6
|
10.8
|
1.0
|
|
HA3
|
A:GLY274
|
4.7
|
13.7
|
1.0
|
|
CB
|
A:ASP278
|
4.7
|
10.6
|
1.0
|
|
CB
|
A:ASP530
|
4.7
|
8.4
|
1.0
|
|
HG23
|
A:VAL275
|
4.7
|
16.5
|
1.0
|
|
N
|
A:ASN277
|
4.8
|
12.0
|
1.0
|
|
C
|
A:ALA276
|
4.8
|
10.5
|
1.0
|
|
CA
|
A:TYR296
|
4.8
|
7.2
|
1.0
|
|
H
|
A:ASP279
|
4.8
|
11.0
|
1.0
|
|
HB2
|
A:ASP530
|
4.8
|
10.1
|
1.0
|
|
HA
|
A:ALA295
|
4.9
|
10.0
|
1.0
|
|
HB3
|
A:ASP279
|
4.9
|
12.2
|
1.0
|
|
N
|
A:ASP279
|
4.9
|
9.2
|
1.0
|
|
C
|
A:ASP278
|
4.9
|
9.3
|
1.0
|
|
HD1
|
A:TYR296
|
4.9
|
14.9
|
1.0
|
|
HD2
|
A:HIS534
|
4.9
|
14.1
|
1.0
|
|
CG2
|
A:VAL275
|
4.9
|
13.7
|
1.0
|
|
CA
|
A:ASP278
|
4.9
|
9.7
|
1.0
|
|
HD21
|
A:LEU532
|
5.0
|
14.1
|
1.0
|
|
HB3
|
A:ASP530
|
5.0
|
10.1
|
1.0
|
|
Calcium binding site 4 out
of 8 in 7uww
Go back to
Calcium Binding Sites List in 7uww
Calcium binding site 4 out
of 8 in the SAS6 with Alpha-Cyclodextrin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of SAS6 with Alpha-Cyclodextrin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca719
b:13.7
occ:1.00
|
O
|
A:SER257
|
2.3
|
14.5
|
1.0
|
|
O
|
A:ASP261
|
2.3
|
16.5
|
1.0
|
|
OE1
|
A:GLU496
|
2.4
|
12.5
|
1.0
|
|
OD2
|
A:ASP264
|
2.5
|
15.2
|
1.0
|
|
OD1
|
A:ASP259
|
2.5
|
14.3
|
1.0
|
|
O
|
A:HOH998
|
2.5
|
13.3
|
1.0
|
|
OD1
|
A:ASP264
|
2.5
|
14.7
|
1.0
|
|
OE2
|
A:GLU496
|
2.7
|
14.6
|
1.0
|
|
CG
|
A:ASP264
|
2.9
|
13.5
|
1.0
|
|
CD
|
A:GLU496
|
2.9
|
14.5
|
1.0
|
|
CG
|
A:ASP259
|
3.5
|
13.8
|
1.0
|
|
C
|
A:ASP261
|
3.5
|
14.7
|
1.0
|
|
C
|
A:SER257
|
3.5
|
13.8
|
1.0
|
|
H
|
A:ASP259
|
3.6
|
19.2
|
1.0
|
|
HB2
|
A:SER257
|
3.6
|
23.4
|
0.5
|
|
HB3
|
A:SER257
|
3.7
|
23.4
|
0.5
|
|
H
|
A:ASP261
|
3.7
|
16.8
|
1.0
|
|
HG23
|
A:ILE256
|
3.8
|
17.8
|
1.0
|
|
HB3
|
A:ASP261
|
3.8
|
21.6
|
1.0
|
|
OD2
|
A:ASP259
|
3.8
|
16.2
|
1.0
|
|
H
|
A:SER257
|
3.8
|
15.2
|
0.5
|
|
H
|
A:SER257
|
3.8
|
15.2
|
0.5
|
|
HE1
|
A:TRP265
|
3.9
|
14.5
|
1.0
|
|
N
|
A:ASP261
|
4.1
|
14.0
|
1.0
|
|
HD1
|
A:TRP265
|
4.1
|
15.8
|
1.0
|
|
HA
|
A:LEU262
|
4.1
|
18.2
|
1.0
|
|
H
|
A:ASP264
|
4.1
|
17.8
|
1.0
|
|
HA
|
A:VAL258
|
4.1
|
19.6
|
1.0
|
|
N
|
A:ASP259
|
4.2
|
16.0
|
1.0
|
|
CA
|
A:ASP261
|
4.2
|
15.4
|
1.0
|
|
H
|
A:GLY260
|
4.3
|
16.3
|
1.0
|
|
CA
|
A:SER257
|
4.3
|
16.5
|
0.5
|
|
CA
|
A:SER257
|
4.3
|
16.5
|
0.5
|
|
N
|
A:SER257
|
4.3
|
12.7
|
1.0
|
|
OD1
|
A:ASP261
|
4.3
|
15.7
|
1.0
|
|
CB
|
A:SER257
|
4.4
|
19.4
|
0.5
|
|
CG
|
A:GLU496
|
4.4
|
16.7
|
1.0
|
|
CB
|
A:ASP264
|
4.4
|
15.0
|
1.0
|
|
CB
|
A:SER257
|
4.4
|
19.4
|
0.5
|
|
CB
|
A:ASP261
|
4.4
|
18.0
|
1.0
|
|
NE1
|
A:TRP265
|
4.5
|
12.1
|
1.0
|
|
N
|
A:LEU262
|
4.5
|
14.1
|
1.0
|
|
HG22
|
A:ILE256
|
4.5
|
17.8
|
1.0
|
|
CG2
|
A:ILE256
|
4.5
|
14.8
|
1.0
|
|
HG
|
A:SER257
|
4.5
|
21.8
|
0.5
|
|
N
|
A:VAL258
|
4.5
|
15.4
|
1.0
|
|
N
|
A:GLY260
|
4.6
|
13.6
|
1.0
|
|
CD1
|
A:TRP265
|
4.6
|
13.1
|
1.0
|
|
HB3
|
A:ASP264
|
4.6
|
18.0
|
1.0
|
|
CB
|
A:ASP259
|
4.7
|
18.3
|
1.0
|
|
HG3
|
A:GLU496
|
4.7
|
20.1
|
1.0
|
|
HG2
|
A:GLU496
|
4.7
|
20.1
|
1.0
|
|
HB3
|
A:SER257
|
4.7
|
23.4
|
0.5
|
|
CA
|
A:VAL258
|
4.7
|
16.3
|
1.0
|
|
CA
|
A:LEU262
|
4.8
|
15.1
|
1.0
|
|
O
|
A:HOH1390
|
4.8
|
23.4
|
1.0
|
|
HG21
|
A:ILE256
|
4.8
|
17.8
|
1.0
|
|
HD23
|
A:LEU262
|
4.8
|
17.7
|
1.0
|
|
HB2
|
A:ASP264
|
4.8
|
18.0
|
1.0
|
|
CA
|
A:ASP259
|
4.8
|
14.9
|
1.0
|
|
H
|
A:SER263
|
4.9
|
16.1
|
1.0
|
|
CG
|
A:ASP261
|
4.9
|
19.3
|
1.0
|
|
C
|
A:VAL258
|
4.9
|
22.0
|
1.0
|
|
N
|
A:ASP264
|
4.9
|
14.8
|
1.0
|
|
C
|
A:GLY260
|
5.0
|
11.6
|
1.0
|
|
C
|
A:ASP259
|
5.0
|
19.7
|
1.0
|
|
Calcium binding site 5 out
of 8 in 7uww
Go back to
Calcium Binding Sites List in 7uww
Calcium binding site 5 out
of 8 in the SAS6 with Alpha-Cyclodextrin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of SAS6 with Alpha-Cyclodextrin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca719
b:10.8
occ:1.00
|
O
|
B:ALA295
|
2.3
|
10.1
|
1.0
|
|
OD1
|
B:ASP294
|
2.3
|
12.5
|
1.0
|
|
OD1
|
B:ASP278
|
2.3
|
8.2
|
1.0
|
|
OD2
|
B:ASP530
|
2.3
|
9.1
|
1.0
|
|
O
|
B:VAL275
|
2.4
|
12.9
|
1.0
|
|
O
|
B:HOH934
|
2.4
|
10.0
|
1.0
|
|
CG
|
B:ASP278
|
3.3
|
10.8
|
1.0
|
|
CG
|
B:ASP530
|
3.4
|
11.1
|
1.0
|
|
C
|
B:ALA295
|
3.4
|
11.3
|
1.0
|
|
H
|
B:ALA295
|
3.5
|
10.9
|
1.0
|
|
HA
|
B:ASP294
|
3.5
|
12.4
|
1.0
|
|
N
|
B:ALA295
|
3.5
|
9.0
|
1.0
|
|
CG
|
B:ASP294
|
3.6
|
10.2
|
1.0
|
|
C
|
B:VAL275
|
3.6
|
13.0
|
1.0
|
|
OD2
|
B:ASP278
|
3.7
|
11.9
|
1.0
|
|
OD1
|
B:ASP530
|
3.7
|
11.5
|
1.0
|
|
H
|
B:VAL275
|
3.7
|
18.1
|
1.0
|
|
H
|
B:ASP278
|
3.7
|
13.1
|
1.0
|
|
HA
|
B:ALA276
|
3.8
|
17.0
|
1.0
|
|
C
|
B:ASP294
|
3.9
|
8.2
|
1.0
|
|
HB3
|
B:ALA295
|
4.0
|
11.3
|
1.0
|
|
CA
|
B:ALA295
|
4.0
|
8.2
|
1.0
|
|
HA
|
B:TYR296
|
4.1
|
14.2
|
1.0
|
|
CA
|
B:ASP294
|
4.1
|
10.3
|
1.0
|
|
HG22
|
B:VAL275
|
4.2
|
22.9
|
1.0
|
|
N
|
B:VAL275
|
4.3
|
15.1
|
1.0
|
|
CB
|
B:ASP294
|
4.4
|
9.3
|
1.0
|
|
OD2
|
B:ASP294
|
4.4
|
11.9
|
1.0
|
|
CA
|
B:ALA276
|
4.5
|
14.1
|
1.0
|
|
N
|
B:ALA276
|
4.5
|
9.8
|
1.0
|
|
N
|
B:TYR296
|
4.5
|
13.4
|
1.0
|
|
CB
|
B:ALA295
|
4.5
|
9.4
|
1.0
|
|
H
|
B:ASN277
|
4.5
|
15.5
|
1.0
|
|
N
|
B:ASP278
|
4.5
|
10.9
|
1.0
|
|
O
|
B:ASP294
|
4.5
|
12.2
|
1.0
|
|
CA
|
B:VAL275
|
4.6
|
11.6
|
1.0
|
|
HA3
|
B:GLY274
|
4.6
|
15.2
|
1.0
|
|
CB
|
B:ASP278
|
4.7
|
9.9
|
1.0
|
|
CB
|
B:ASP530
|
4.7
|
9.5
|
1.0
|
|
HG23
|
B:VAL275
|
4.8
|
22.9
|
1.0
|
|
HD1
|
B:TYR296
|
4.8
|
16.0
|
1.0
|
|
HB2
|
B:ASP530
|
4.8
|
11.4
|
1.0
|
|
CA
|
B:TYR296
|
4.8
|
11.8
|
1.0
|
|
C
|
B:ALA276
|
4.8
|
13.5
|
1.0
|
|
H
|
B:ASP279
|
4.8
|
12.4
|
1.0
|
|
N
|
B:ASN277
|
4.8
|
12.8
|
1.0
|
|
HA
|
B:ALA295
|
4.9
|
9.9
|
1.0
|
|
HD21
|
B:LEU532
|
4.9
|
16.4
|
1.0
|
|
C
|
B:ASP278
|
4.9
|
11.5
|
1.0
|
|
N
|
B:ASP279
|
4.9
|
10.3
|
1.0
|
|
HB3
|
B:ASP279
|
4.9
|
13.5
|
1.0
|
|
CA
|
B:ASP278
|
4.9
|
10.1
|
1.0
|
|
CG2
|
B:VAL275
|
4.9
|
19.0
|
1.0
|
|
HB3
|
B:ASP530
|
4.9
|
11.4
|
1.0
|
|
HB2
|
B:ASP294
|
5.0
|
11.3
|
1.0
|
|
HD2
|
B:HIS534
|
5.0
|
14.8
|
1.0
|
|
HB3
|
B:ASP278
|
5.0
|
11.9
|
1.0
|
|
Calcium binding site 6 out
of 8 in 7uww
Go back to
Calcium Binding Sites List in 7uww
Calcium binding site 6 out
of 8 in the SAS6 with Alpha-Cyclodextrin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of SAS6 with Alpha-Cyclodextrin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca720
b:10.2
occ:1.00
|
OE1
|
B:GLU555
|
2.3
|
9.0
|
1.0
|
|
OD2
|
B:ASP560
|
2.4
|
11.7
|
1.0
|
|
O
|
B:GLY528
|
2.4
|
11.7
|
1.0
|
|
OD1
|
B:ASP558
|
2.4
|
10.1
|
1.0
|
|
O
|
B:GLU555
|
2.4
|
11.9
|
1.0
|
|
OG
|
B:SER527
|
2.5
|
11.4
|
1.0
|
|
OD1
|
B:ASP560
|
2.7
|
9.6
|
1.0
|
|
CG
|
B:ASP560
|
2.9
|
12.9
|
1.0
|
|
HB3
|
B:GLU555
|
3.2
|
13.8
|
1.0
|
|
HB3
|
B:SER527
|
3.3
|
14.1
|
1.0
|
|
HA
|
B:GLU555
|
3.3
|
12.6
|
1.0
|
|
C
|
B:GLU555
|
3.4
|
9.4
|
1.0
|
|
C
|
B:GLY528
|
3.5
|
10.1
|
1.0
|
|
CB
|
B:SER527
|
3.5
|
11.7
|
1.0
|
|
CD
|
B:GLU555
|
3.5
|
13.6
|
1.0
|
|
H
|
B:GLY528
|
3.5
|
11.8
|
1.0
|
|
CG
|
B:ASP558
|
3.5
|
11.2
|
1.0
|
|
N
|
B:GLY528
|
3.6
|
9.8
|
1.0
|
|
CA
|
B:GLU555
|
3.7
|
10.4
|
1.0
|
|
CB
|
B:GLU555
|
3.8
|
11.5
|
1.0
|
|
CA
|
B:CA721
|
3.8
|
10.6
|
1.0
|
|
OD2
|
B:ASP558
|
3.9
|
11.9
|
1.0
|
|
CA
|
B:GLY528
|
3.9
|
9.7
|
1.0
|
|
H
|
B:ASP558
|
4.0
|
14.0
|
1.0
|
|
C
|
B:SER527
|
4.1
|
7.9
|
1.0
|
|
HA3
|
B:GLY528
|
4.1
|
11.7
|
1.0
|
|
HB2
|
B:SER527
|
4.2
|
14.1
|
1.0
|
|
CG
|
B:GLU555
|
4.2
|
10.4
|
1.0
|
|
HA
|
B:MET538
|
4.3
|
15.2
|
1.0
|
|
CA
|
B:SER527
|
4.4
|
10.9
|
1.0
|
|
CB
|
B:ASP560
|
4.4
|
11.6
|
1.0
|
|
HA
|
B:MET529
|
4.4
|
11.8
|
1.0
|
|
O
|
B:ASP558
|
4.5
|
13.7
|
1.0
|
|
OE2
|
B:GLU555
|
4.5
|
11.1
|
1.0
|
|
O
|
B:SER537
|
4.6
|
12.6
|
1.0
|
|
N
|
B:MET529
|
4.6
|
10.5
|
1.0
|
|
N
|
B:LYS556
|
4.6
|
10.6
|
1.0
|
|
N
|
B:ASP558
|
4.7
|
11.7
|
1.0
|
|
HB2
|
B:ASP560
|
4.7
|
14.0
|
1.0
|
|
HB2
|
B:GLU555
|
4.7
|
13.8
|
1.0
|
|
HA
|
B:SER527
|
4.7
|
13.2
|
1.0
|
|
O
|
B:SER527
|
4.7
|
12.3
|
1.0
|
|
HG3
|
B:GLU555
|
4.8
|
12.6
|
1.0
|
|
C
|
B:ASP558
|
4.8
|
10.0
|
1.0
|
|
CB
|
B:ASP558
|
4.8
|
11.2
|
1.0
|
|
HA
|
B:LYS556
|
4.8
|
14.3
|
1.0
|
|
H
|
B:ASP560
|
4.8
|
12.1
|
1.0
|
|
HB3
|
B:ASP560
|
4.8
|
14.0
|
1.0
|
|
HE1
|
B:MET538
|
4.9
|
12.1
|
1.0
|
|
HA2
|
B:GLY528
|
4.9
|
11.7
|
1.0
|
|
HG2
|
B:GLU555
|
4.9
|
12.6
|
1.0
|
|
H
|
B:GLU557
|
4.9
|
12.0
|
1.0
|
|
O
|
B:MET538
|
5.0
|
10.1
|
1.0
|
|
CA
|
B:ASP558
|
5.0
|
11.4
|
1.0
|
|
Calcium binding site 7 out
of 8 in 7uww
Go back to
Calcium Binding Sites List in 7uww
Calcium binding site 7 out
of 8 in the SAS6 with Alpha-Cyclodextrin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of SAS6 with Alpha-Cyclodextrin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca721
b:10.6
occ:1.00
|
O
|
B:SER537
|
2.3
|
12.6
|
1.0
|
|
OD2
|
B:ASP558
|
2.3
|
11.9
|
1.0
|
|
OD1
|
B:ASP560
|
2.3
|
9.6
|
1.0
|
|
OD1
|
B:ASP540
|
2.4
|
14.1
|
1.0
|
|
O
|
B:HOH1142
|
2.4
|
15.1
|
1.0
|
|
OE1
|
B:GLU555
|
2.5
|
9.0
|
1.0
|
|
OE2
|
B:GLU555
|
2.5
|
11.1
|
1.0
|
|
CD
|
B:GLU555
|
2.9
|
13.6
|
1.0
|
|
CG
|
B:ASP558
|
3.3
|
11.2
|
1.0
|
|
CG
|
B:ASP560
|
3.5
|
12.9
|
1.0
|
|
C
|
B:SER537
|
3.5
|
11.3
|
1.0
|
|
CG
|
B:ASP540
|
3.5
|
23.7
|
1.0
|
|
OD1
|
B:ASP558
|
3.5
|
10.1
|
1.0
|
|
HG3
|
B:GLN541
|
3.8
|
16.3
|
1.0
|
|
HA
|
B:ASP560
|
3.8
|
11.3
|
1.0
|
|
H
|
B:GLN541
|
3.8
|
14.8
|
1.0
|
|
H
|
B:ASP540
|
3.8
|
13.1
|
1.0
|
|
CA
|
B:CA720
|
3.8
|
10.2
|
1.0
|
|
OD2
|
B:ASP540
|
3.9
|
27.9
|
1.0
|
|
HB2
|
B:SER537
|
3.9
|
15.9
|
1.0
|
|
HA
|
B:SER537
|
4.0
|
13.8
|
1.0
|
|
HB2
|
B:GLN541
|
4.1
|
14.3
|
1.0
|
|
HA
|
B:MET538
|
4.1
|
15.2
|
1.0
|
|
CA
|
B:SER537
|
4.2
|
11.4
|
1.0
|
|
OD2
|
B:ASP560
|
4.3
|
11.7
|
1.0
|
|
CB
|
B:ASP560
|
4.3
|
11.6
|
1.0
|
|
CG
|
B:GLU555
|
4.4
|
10.4
|
1.0
|
|
HB3
|
B:ASP560
|
4.4
|
14.0
|
1.0
|
|
N
|
B:ASP540
|
4.4
|
10.9
|
1.0
|
|
HA
|
B:GLU555
|
4.4
|
12.6
|
1.0
|
|
CA
|
B:ASP560
|
4.4
|
9.4
|
1.0
|
|
N
|
B:GLN541
|
4.4
|
12.3
|
1.0
|
|
C
|
B:MET538
|
4.5
|
11.8
|
1.0
|
|
N
|
B:MET538
|
4.5
|
9.7
|
1.0
|
|
O
|
B:ILE559
|
4.5
|
14.4
|
1.0
|
|
CB
|
B:SER537
|
4.5
|
13.2
|
1.0
|
|
CA
|
B:MET538
|
4.6
|
12.6
|
1.0
|
|
CG
|
B:GLN541
|
4.6
|
13.5
|
1.0
|
|
CB
|
B:ASP558
|
4.6
|
11.2
|
1.0
|
|
HB2
|
B:ASP558
|
4.6
|
13.5
|
1.0
|
|
N
|
B:LEU539
|
4.7
|
8.5
|
1.0
|
|
OE1
|
B:GLN541
|
4.7
|
26.3
|
1.0
|
|
HG2
|
B:GLU555
|
4.7
|
12.6
|
1.0
|
|
H
|
B:LEU539
|
4.7
|
10.2
|
1.0
|
|
CB
|
B:ASP540
|
4.7
|
15.6
|
1.0
|
|
CB
|
B:GLN541
|
4.8
|
11.8
|
1.0
|
|
N
|
B:ASP560
|
4.8
|
10.0
|
1.0
|
|
O
|
B:MET538
|
4.8
|
10.1
|
1.0
|
|
HG3
|
B:GLU555
|
4.8
|
12.6
|
1.0
|
|
C
|
B:ILE559
|
4.9
|
13.8
|
1.0
|
|
CA
|
B:ASP540
|
5.0
|
10.3
|
1.0
|
|
Calcium binding site 8 out
of 8 in 7uww
Go back to
Calcium Binding Sites List in 7uww
Calcium binding site 8 out
of 8 in the SAS6 with Alpha-Cyclodextrin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of SAS6 with Alpha-Cyclodextrin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca722
b:19.2
occ:1.00
|
HO1
|
B:EDO704
|
1.8
|
30.9
|
1.0
|
|
O
|
B:SER257
|
2.2
|
20.6
|
1.0
|
|
O
|
B:ASP261
|
2.3
|
24.7
|
1.0
|
|
OE2
|
B:GLU496
|
2.4
|
16.7
|
1.0
|
|
OD1
|
B:ASP259
|
2.5
|
23.1
|
1.0
|
|
OD1
|
B:ASP264
|
2.5
|
18.1
|
1.0
|
|
OD2
|
B:ASP264
|
2.6
|
23.7
|
1.0
|
|
O1
|
B:EDO704
|
2.6
|
25.7
|
1.0
|
|
CG
|
B:ASP264
|
2.9
|
15.2
|
1.0
|
|
OE1
|
B:GLU496
|
2.9
|
21.3
|
1.0
|
|
CD
|
B:GLU496
|
3.0
|
22.6
|
1.0
|
|
CG
|
B:ASP259
|
3.4
|
27.8
|
1.0
|
|
H
|
B:ASP259
|
3.4
|
21.4
|
1.0
|
|
C
|
B:SER257
|
3.4
|
20.6
|
1.0
|
|
C
|
B:ASP261
|
3.5
|
21.9
|
1.0
|
|
HB3
|
B:ASP261
|
3.6
|
30.1
|
1.0
|
|
HB3
|
B:SER257
|
3.6
|
29.5
|
0.4
|
|
HG23
|
B:ILE256
|
3.6
|
22.3
|
1.0
|
|
H
|
B:ASP261
|
3.6
|
27.6
|
1.0
|
|
HB2
|
B:SER257
|
3.7
|
29.5
|
0.6
|
|
C1
|
B:EDO704
|
3.7
|
32.9
|
1.0
|
|
OD2
|
B:ASP259
|
3.7
|
26.6
|
1.0
|
|
H
|
B:SER257
|
3.7
|
17.6
|
0.4
|
|
H
|
B:SER257
|
3.7
|
17.6
|
0.6
|
|
H12
|
B:EDO704
|
3.8
|
39.5
|
1.0
|
|
H11
|
B:EDO704
|
4.0
|
39.5
|
1.0
|
|
HA
|
B:VAL258
|
4.0
|
20.1
|
1.0
|
|
N
|
B:ASP261
|
4.1
|
23.0
|
1.0
|
|
HE1
|
B:TRP265
|
4.1
|
22.4
|
1.0
|
|
N
|
B:ASP259
|
4.1
|
17.8
|
1.0
|
|
H
|
B:ASP264
|
4.1
|
23.9
|
1.0
|
|
CA
|
B:ASP261
|
4.2
|
29.3
|
1.0
|
|
HA
|
B:LEU262
|
4.2
|
26.1
|
1.0
|
|
CA
|
B:SER257
|
4.2
|
21.6
|
0.4
|
|
CA
|
B:SER257
|
4.2
|
21.6
|
0.6
|
|
H
|
B:GLY260
|
4.2
|
28.2
|
1.0
|
|
N
|
B:SER257
|
4.2
|
14.6
|
1.0
|
|
CB
|
B:SER257
|
4.3
|
24.5
|
0.4
|
|
HG
|
B:SER257
|
4.3
|
29.8
|
0.4
|
|
CB
|
B:ASP261
|
4.3
|
25.0
|
1.0
|
|
CB
|
B:SER257
|
4.3
|
24.6
|
0.6
|
|
HD1
|
B:TRP265
|
4.4
|
19.1
|
1.0
|
|
CB
|
B:ASP264
|
4.4
|
22.5
|
1.0
|
|
CG2
|
B:ILE256
|
4.4
|
18.5
|
1.0
|
|
N
|
B:VAL258
|
4.5
|
16.1
|
1.0
|
|
HG22
|
B:ILE256
|
4.5
|
22.3
|
1.0
|
|
CG
|
B:GLU496
|
4.5
|
15.8
|
1.0
|
|
N
|
B:LEU262
|
4.5
|
23.9
|
1.0
|
|
HB3
|
B:SER257
|
4.6
|
29.5
|
0.6
|
|
N
|
B:GLY260
|
4.6
|
23.5
|
1.0
|
|
CA
|
B:VAL258
|
4.6
|
16.7
|
1.0
|
|
NE1
|
B:TRP265
|
4.6
|
18.6
|
1.0
|
|
HB3
|
B:ASP264
|
4.6
|
27.1
|
1.0
|
|
CB
|
B:ASP259
|
4.6
|
23.4
|
1.0
|
|
HG21
|
B:ILE256
|
4.7
|
22.3
|
1.0
|
|
HD23
|
B:LEU262
|
4.7
|
34.6
|
1.0
|
|
HG2
|
B:GLU496
|
4.7
|
19.0
|
1.0
|
|
CA
|
B:LEU262
|
4.8
|
21.7
|
1.0
|
|
OG
|
B:SER257
|
4.8
|
24.8
|
0.4
|
|
CA
|
B:ASP259
|
4.8
|
22.4
|
1.0
|
|
CD1
|
B:TRP265
|
4.8
|
15.9
|
1.0
|
|
HG3
|
B:GLU496
|
4.8
|
19.0
|
1.0
|
|
C
|
B:VAL258
|
4.9
|
21.9
|
1.0
|
|
HB2
|
B:ASP264
|
4.9
|
27.1
|
1.0
|
|
N
|
B:ASP264
|
4.9
|
19.9
|
1.0
|
|
C
|
B:GLY260
|
5.0
|
22.7
|
1.0
|
|
H
|
B:SER263
|
5.0
|
25.0
|
1.0
|
|
C2
|
B:EDO704
|
5.0
|
34.1
|
1.0
|
|
HB2
|
B:ASP261
|
5.0
|
30.1
|
1.0
|
|
Reference:
A.L.Photenhauer,
N.M.Koropatkin.
The Ruminococcus Amylosome Protein SAS6 Binds Single and Double Helical A-Glucans Structures in Starch To Be Published.
Page generated: Fri Jul 19 05:13:30 2024
|
