Calcium in PDB 2qpu: Sugar Tongs Mutant S378P in Complex with Acarbose
Enzymatic activity of Sugar Tongs Mutant S378P in Complex with Acarbose
All present enzymatic activity of Sugar Tongs Mutant S378P in Complex with Acarbose:
3.2.1.1;
Protein crystallography data
The structure of Sugar Tongs Mutant S378P in Complex with Acarbose, PDB code: 2qpu
was solved by
N.Aghajari,
M.H.Jensen,
S.Tranier,
R.Haser,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
46.26 /
1.70
|
|
Space group
|
P 21 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
218.930,
89.650,
62.080,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
17.8 /
20.9
|
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Calcium atom in the Sugar Tongs Mutant S378P in Complex with Acarbose
(pdb code 2qpu). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the
Sugar Tongs Mutant S378P in Complex with Acarbose, PDB code: 2qpu:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 12 in 2qpu
Go back to
Calcium Binding Sites List in 2qpu
Calcium binding site 1 out
of 12 in the Sugar Tongs Mutant S378P in Complex with Acarbose
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Sugar Tongs Mutant S378P in Complex with Acarbose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca500
b:10.6
occ:1.00
|
OD1
|
A:ASN92
|
2.3
|
10.1
|
1.0
|
|
O
|
A:GLY184
|
2.3
|
10.6
|
1.0
|
|
OD1
|
A:ASP149
|
2.4
|
10.0
|
1.0
|
|
O
|
A:ALA142
|
2.4
|
9.9
|
1.0
|
|
O
|
A:HOH4027
|
2.4
|
9.7
|
1.0
|
|
OD2
|
A:ASP139
|
2.5
|
9.4
|
1.0
|
|
OD1
|
A:ASP139
|
2.5
|
8.8
|
1.0
|
|
CG
|
A:ASP139
|
2.8
|
10.7
|
1.0
|
|
C
|
A:GLY184
|
3.3
|
11.2
|
1.0
|
|
CG
|
A:ASN92
|
3.4
|
10.3
|
1.0
|
|
CG
|
A:ASP149
|
3.5
|
10.9
|
1.0
|
|
C
|
A:ALA142
|
3.6
|
10.7
|
1.0
|
|
CA
|
A:GLY184
|
3.8
|
9.5
|
1.0
|
|
ND2
|
A:ASN92
|
3.9
|
9.7
|
1.0
|
|
CB
|
A:ASP149
|
3.9
|
10.7
|
1.0
|
|
O
|
A:GLY141
|
4.1
|
10.8
|
1.0
|
|
C
|
A:GLY141
|
4.1
|
11.9
|
1.0
|
|
O
|
A:ASN92
|
4.3
|
9.7
|
1.0
|
|
CA
|
A:ASP143
|
4.3
|
12.0
|
1.0
|
|
N
|
A:ALA142
|
4.3
|
11.6
|
1.0
|
|
CB
|
A:ASP139
|
4.3
|
10.5
|
1.0
|
|
N
|
A:ASP143
|
4.4
|
10.9
|
1.0
|
|
N
|
A:TYR185
|
4.5
|
9.5
|
1.0
|
|
OD2
|
A:ASP149
|
4.5
|
11.3
|
1.0
|
|
CA
|
A:ALA142
|
4.6
|
11.4
|
1.0
|
|
N
|
A:GLY141
|
4.6
|
10.7
|
1.0
|
|
CA
|
A:GLY141
|
4.7
|
11.1
|
1.0
|
|
CB
|
A:ASN92
|
4.7
|
9.5
|
1.0
|
|
O
|
A:HOH4073
|
4.9
|
15.1
|
1.0
|
|
O
|
A:HOH4125
|
4.9
|
13.4
|
1.0
|
|
C
|
A:ASN92
|
5.0
|
8.8
|
1.0
|
|
CA
|
A:TYR185
|
5.0
|
11.0
|
1.0
|
|
CA
|
A:ASP149
|
5.0
|
8.9
|
1.0
|
|
Calcium binding site 2 out
of 12 in 2qpu
Go back to
Calcium Binding Sites List in 2qpu
Calcium binding site 2 out
of 12 in the Sugar Tongs Mutant S378P in Complex with Acarbose
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Sugar Tongs Mutant S378P in Complex with Acarbose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca501
b:18.4
occ:1.00
|
O
|
A:HOH4042
|
2.3
|
25.3
|
1.0
|
|
OD2
|
A:ASP118
|
2.4
|
14.2
|
1.0
|
|
OE2
|
A:GLU109
|
2.5
|
20.5
|
1.0
|
|
O
|
A:ASP114
|
2.5
|
26.6
|
1.0
|
|
O
|
A:HOH4004
|
2.5
|
22.5
|
1.0
|
|
O
|
A:THR112
|
2.6
|
23.5
|
1.0
|
|
OD1
|
A:ASP118
|
2.7
|
16.5
|
1.0
|
|
CG
|
A:ASP118
|
2.9
|
18.1
|
1.0
|
|
CD
|
A:GLU109
|
3.2
|
22.4
|
1.0
|
|
OE1
|
A:GLU109
|
3.3
|
27.5
|
1.0
|
|
C
|
A:ASP114
|
3.7
|
26.3
|
1.0
|
|
C
|
A:THR112
|
3.7
|
25.5
|
1.0
|
|
O
|
A:SER113
|
4.0
|
31.4
|
1.0
|
|
N
|
A:THR112
|
4.1
|
20.6
|
1.0
|
|
C
|
A:SER113
|
4.2
|
29.6
|
1.0
|
|
OG1
|
A:THR112
|
4.3
|
25.2
|
1.0
|
|
N
|
A:GLY110
|
4.3
|
13.2
|
1.0
|
|
CA
|
A:GLY115
|
4.4
|
23.9
|
1.0
|
|
CB
|
A:ASP118
|
4.4
|
15.9
|
1.0
|
|
O
|
A:ARG116
|
4.5
|
18.2
|
1.0
|
|
N
|
A:GLY111
|
4.5
|
15.8
|
1.0
|
|
CA
|
A:THR112
|
4.5
|
23.8
|
1.0
|
|
N
|
A:GLY115
|
4.5
|
24.6
|
1.0
|
|
N
|
A:ASP114
|
4.6
|
29.4
|
1.0
|
|
N
|
A:SER113
|
4.6
|
26.8
|
1.0
|
|
CG
|
A:GLU109
|
4.7
|
20.6
|
1.0
|
|
O
|
A:HOH4493
|
4.7
|
23.4
|
1.0
|
|
C
|
A:GLY115
|
4.7
|
23.0
|
1.0
|
|
CA
|
A:ASP114
|
4.7
|
28.0
|
1.0
|
|
CA
|
A:SER113
|
4.8
|
29.3
|
1.0
|
|
N
|
A:ARG116
|
4.9
|
22.4
|
1.0
|
|
CA
|
A:GLY110
|
4.9
|
13.3
|
1.0
|
|
Calcium binding site 3 out
of 12 in 2qpu
Go back to
Calcium Binding Sites List in 2qpu
Calcium binding site 3 out
of 12 in the Sugar Tongs Mutant S378P in Complex with Acarbose
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Sugar Tongs Mutant S378P in Complex with Acarbose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca502
b:12.3
occ:1.00
|
O
|
A:ALA147
|
2.3
|
13.8
|
1.0
|
|
OD2
|
A:ASP149
|
2.3
|
11.3
|
1.0
|
|
O
|
A:PHE144
|
2.3
|
12.8
|
1.0
|
|
O
|
A:HOH4106
|
2.4
|
16.6
|
1.0
|
|
OD2
|
A:ASP143
|
2.4
|
12.3
|
1.0
|
|
OD2
|
A:ASP128
|
2.4
|
15.0
|
1.0
|
|
CG
|
A:ASP143
|
3.3
|
12.4
|
1.0
|
|
C
|
A:PHE144
|
3.3
|
14.5
|
1.0
|
|
CG
|
A:ASP149
|
3.4
|
10.9
|
1.0
|
|
CG
|
A:ASP128
|
3.4
|
15.6
|
1.0
|
|
C
|
A:ALA147
|
3.5
|
13.6
|
1.0
|
|
N
|
A:ASP149
|
3.5
|
9.2
|
1.0
|
|
OD1
|
A:ASP143
|
3.5
|
13.4
|
1.0
|
|
N
|
A:PHE144
|
3.7
|
12.4
|
1.0
|
|
OD1
|
A:ASP128
|
3.8
|
17.9
|
1.0
|
|
CB
|
A:ASP149
|
3.9
|
10.7
|
1.0
|
|
C
|
A:PRO148
|
3.9
|
11.9
|
1.0
|
|
CA
|
A:PHE144
|
4.1
|
14.5
|
1.0
|
|
CA
|
A:PRO148
|
4.1
|
12.3
|
1.0
|
|
CA
|
A:ASP149
|
4.2
|
8.9
|
1.0
|
|
O
|
A:HOH4320
|
4.2
|
24.9
|
1.0
|
|
N
|
A:PRO148
|
4.2
|
14.5
|
1.0
|
|
N
|
A:ALA145
|
4.2
|
15.5
|
1.0
|
|
N
|
A:ALA147
|
4.4
|
16.4
|
1.0
|
|
OD1
|
A:ASP149
|
4.4
|
10.0
|
1.0
|
|
CA
|
A:ALA145
|
4.4
|
17.6
|
1.0
|
|
CB
|
A:PHE144
|
4.5
|
15.9
|
1.0
|
|
O
|
A:HOH4125
|
4.5
|
13.4
|
1.0
|
|
O
|
A:ALA145
|
4.5
|
19.1
|
1.0
|
|
CA
|
A:ALA147
|
4.5
|
14.7
|
1.0
|
|
C
|
A:ALA145
|
4.5
|
18.2
|
1.0
|
|
CB
|
A:ASP143
|
4.6
|
13.9
|
1.0
|
|
CB
|
A:ASP128
|
4.7
|
15.0
|
1.0
|
|
O
|
A:PRO148
|
4.7
|
9.6
|
1.0
|
|
C
|
A:ASP143
|
4.7
|
13.4
|
1.0
|
|
CA
|
A:ASP143
|
4.9
|
12.0
|
1.0
|
|
Calcium binding site 4 out
of 12 in 2qpu
Go back to
Calcium Binding Sites List in 2qpu
Calcium binding site 4 out
of 12 in the Sugar Tongs Mutant S378P in Complex with Acarbose
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Sugar Tongs Mutant S378P in Complex with Acarbose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca503
b:29.9
occ:1.00
|
O
|
A:HOH4395
|
2.4
|
15.3
|
1.0
|
|
O
|
A:HOH4365
|
2.4
|
34.7
|
1.0
|
|
O
|
A:HOH4149
|
2.5
|
22.1
|
1.0
|
|
O
|
A:HOH4064
|
2.5
|
23.5
|
1.0
|
|
O
|
A:HOH4367
|
2.5
|
27.1
|
1.0
|
|
O
|
A:HOH4396
|
2.6
|
36.2
|
1.0
|
|
O
|
A:HOH4069
|
3.1
|
40.3
|
1.0
|
|
O
|
A:HOH4394
|
3.9
|
22.8
|
1.0
|
|
O
|
A:HOH4033
|
4.2
|
16.8
|
1.0
|
|
O
|
A:HOH4050
|
4.6
|
27.0
|
1.0
|
|
OD2
|
A:ASP291
|
4.6
|
12.8
|
1.0
|
|
OD1
|
A:ASP180
|
4.7
|
12.1
|
1.0
|
|
OE2
|
A:GLU205
|
4.7
|
13.7
|
1.0
|
|
O
|
A:HOH4062
|
4.7
|
27.2
|
1.0
|
|
OE1
|
A:GLU205
|
4.8
|
16.2
|
1.0
|
|
OD1
|
A:ASP291
|
4.8
|
14.3
|
1.0
|
|
CG
|
A:ASP291
|
5.0
|
13.8
|
1.0
|
|
Calcium binding site 5 out
of 12 in 2qpu
Go back to
Calcium Binding Sites List in 2qpu
Calcium binding site 5 out
of 12 in the Sugar Tongs Mutant S378P in Complex with Acarbose
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Sugar Tongs Mutant S378P in Complex with Acarbose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca500
b:9.9
occ:1.00
|
OD2
|
B:ASP149
|
2.3
|
7.0
|
1.0
|
|
O
|
B:GLY184
|
2.4
|
9.5
|
1.0
|
|
OD1
|
B:ASN92
|
2.4
|
8.7
|
1.0
|
|
O
|
B:HOH4315
|
2.4
|
9.2
|
1.0
|
|
OD2
|
B:ASP139
|
2.4
|
10.5
|
1.0
|
|
O
|
B:ALA142
|
2.5
|
10.2
|
1.0
|
|
OD1
|
B:ASP139
|
2.6
|
9.9
|
1.0
|
|
CG
|
B:ASP139
|
2.9
|
11.4
|
1.0
|
|
C
|
B:GLY184
|
3.4
|
10.2
|
1.0
|
|
CG
|
B:ASP149
|
3.4
|
9.8
|
1.0
|
|
CG
|
B:ASN92
|
3.4
|
8.9
|
1.0
|
|
C
|
B:ALA142
|
3.6
|
11.6
|
1.0
|
|
CB
|
B:ASP149
|
3.9
|
7.3
|
1.0
|
|
ND2
|
B:ASN92
|
3.9
|
7.5
|
1.0
|
|
CA
|
B:GLY184
|
3.9
|
8.7
|
1.0
|
|
C
|
B:GLY141
|
4.1
|
11.8
|
1.0
|
|
O
|
B:GLY141
|
4.1
|
12.0
|
1.0
|
|
N
|
B:ALA142
|
4.3
|
11.3
|
1.0
|
|
O
|
B:ASN92
|
4.3
|
8.1
|
1.0
|
|
CA
|
B:ASP143
|
4.4
|
12.8
|
1.0
|
|
CB
|
B:ASP139
|
4.4
|
10.4
|
1.0
|
|
N
|
B:ASP143
|
4.4
|
13.1
|
1.0
|
|
OD1
|
B:ASP149
|
4.5
|
11.5
|
1.0
|
|
N
|
B:TYR185
|
4.5
|
8.8
|
1.0
|
|
CA
|
B:ALA142
|
4.6
|
12.7
|
1.0
|
|
N
|
B:GLY141
|
4.6
|
11.5
|
1.0
|
|
CA
|
B:GLY141
|
4.6
|
11.8
|
1.0
|
|
O
|
B:HOH4405
|
4.7
|
14.8
|
1.0
|
|
CB
|
B:ASN92
|
4.7
|
10.3
|
1.0
|
|
O
|
B:HOH4357
|
4.7
|
8.9
|
1.0
|
|
SG
|
B:CYS125
|
4.9
|
12.0
|
1.0
|
|
CA
|
B:ASP149
|
5.0
|
8.9
|
1.0
|
|
CA
|
B:TYR185
|
5.0
|
9.5
|
1.0
|
|
Calcium binding site 6 out
of 12 in 2qpu
Go back to
Calcium Binding Sites List in 2qpu
Calcium binding site 6 out
of 12 in the Sugar Tongs Mutant S378P in Complex with Acarbose
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Sugar Tongs Mutant S378P in Complex with Acarbose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca501
b:16.6
occ:1.00
|
O
|
B:HOH4330
|
2.4
|
15.6
|
1.0
|
|
OD2
|
B:ASP118
|
2.4
|
13.0
|
1.0
|
|
O
|
B:ASP114
|
2.4
|
16.4
|
1.0
|
|
OE2
|
B:GLU109
|
2.5
|
12.6
|
1.0
|
|
O
|
B:HOH4293
|
2.5
|
14.7
|
1.0
|
|
O
|
B:THR112
|
2.5
|
15.7
|
1.0
|
|
OD1
|
B:ASP118
|
2.6
|
14.7
|
1.0
|
|
OE1
|
B:GLU109
|
2.9
|
13.5
|
1.0
|
|
CG
|
B:ASP118
|
2.9
|
14.9
|
1.0
|
|
CD
|
B:GLU109
|
3.0
|
13.0
|
1.0
|
|
C
|
B:ASP114
|
3.6
|
18.2
|
1.0
|
|
C
|
B:THR112
|
3.7
|
17.6
|
1.0
|
|
N
|
B:THR112
|
4.1
|
14.9
|
1.0
|
|
OG1
|
B:THR112
|
4.2
|
18.2
|
1.0
|
|
C
|
B:SER113
|
4.3
|
20.1
|
1.0
|
|
N
|
B:GLY110
|
4.3
|
9.5
|
1.0
|
|
O
|
B:SER113
|
4.3
|
20.6
|
1.0
|
|
O
|
B:HOH4602
|
4.3
|
24.6
|
1.0
|
|
CA
|
B:GLY115
|
4.4
|
16.2
|
1.0
|
|
CB
|
B:ASP118
|
4.4
|
13.4
|
1.0
|
|
N
|
B:ASP114
|
4.4
|
19.8
|
1.0
|
|
N
|
B:GLY115
|
4.4
|
17.8
|
1.0
|
|
O
|
B:ARG116
|
4.5
|
13.5
|
1.0
|
|
CG
|
B:GLU109
|
4.5
|
12.0
|
1.0
|
|
CA
|
B:THR112
|
4.5
|
16.2
|
1.0
|
|
N
|
B:GLY111
|
4.5
|
11.1
|
1.0
|
|
CA
|
B:ASP114
|
4.6
|
19.3
|
1.0
|
|
O
|
B:HOH4610
|
4.6
|
31.8
|
1.0
|
|
C
|
B:GLY115
|
4.7
|
15.7
|
1.0
|
|
N
|
B:SER113
|
4.7
|
18.7
|
1.0
|
|
O
|
B:HOH4352
|
4.7
|
22.4
|
1.0
|
|
CA
|
B:SER113
|
4.8
|
20.9
|
1.0
|
|
N
|
B:ARG116
|
4.8
|
15.5
|
1.0
|
|
CA
|
B:GLY110
|
5.0
|
11.6
|
1.0
|
|
CA
|
B:GLU109
|
5.0
|
11.3
|
1.0
|
|
Calcium binding site 7 out
of 12 in 2qpu
Go back to
Calcium Binding Sites List in 2qpu
Calcium binding site 7 out
of 12 in the Sugar Tongs Mutant S378P in Complex with Acarbose
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Sugar Tongs Mutant S378P in Complex with Acarbose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca502
b:13.5
occ:1.00
|
O
|
B:ALA147
|
2.2
|
10.2
|
1.0
|
|
O
|
B:PHE144
|
2.3
|
13.0
|
1.0
|
|
O
|
B:HOH4390
|
2.3
|
12.3
|
1.0
|
|
OD2
|
B:ASP128
|
2.4
|
11.5
|
1.0
|
|
OD1
|
B:ASP149
|
2.4
|
11.5
|
1.0
|
|
OD1
|
B:ASP143
|
2.5
|
14.5
|
1.0
|
|
CG
|
B:ASP143
|
3.2
|
15.7
|
1.0
|
|
CG
|
B:ASP128
|
3.3
|
14.3
|
1.0
|
|
C
|
B:PHE144
|
3.3
|
14.2
|
1.0
|
|
OD2
|
B:ASP143
|
3.4
|
18.1
|
1.0
|
|
CG
|
B:ASP149
|
3.4
|
9.8
|
1.0
|
|
C
|
B:ALA147
|
3.4
|
11.0
|
1.0
|
|
N
|
B:ASP149
|
3.5
|
8.4
|
1.0
|
|
OD1
|
B:ASP128
|
3.6
|
13.7
|
1.0
|
|
N
|
B:PHE144
|
3.8
|
13.0
|
1.0
|
|
CB
|
B:ASP149
|
3.9
|
7.3
|
1.0
|
|
C
|
B:PRO148
|
4.0
|
9.0
|
1.0
|
|
CA
|
B:PHE144
|
4.1
|
14.8
|
1.0
|
|
CA
|
B:PRO148
|
4.1
|
9.6
|
1.0
|
|
CA
|
B:ASP149
|
4.2
|
8.9
|
1.0
|
|
N
|
B:ALA145
|
4.2
|
14.4
|
1.0
|
|
N
|
B:PRO148
|
4.2
|
10.1
|
1.0
|
|
CA
|
B:ALA145
|
4.3
|
14.4
|
1.0
|
|
N
|
B:ALA147
|
4.3
|
13.8
|
1.0
|
|
OD2
|
B:ASP149
|
4.5
|
7.0
|
1.0
|
|
CB
|
B:PHE144
|
4.5
|
14.9
|
1.0
|
|
CA
|
B:ALA147
|
4.5
|
10.7
|
1.0
|
|
CB
|
B:ASP128
|
4.5
|
11.8
|
1.0
|
|
C
|
B:ALA145
|
4.5
|
15.4
|
1.0
|
|
CB
|
B:ASP143
|
4.6
|
13.8
|
1.0
|
|
O
|
B:HOH4762
|
4.6
|
30.0
|
1.0
|
|
O
|
B:HOH4405
|
4.7
|
14.8
|
1.0
|
|
O
|
B:ALA145
|
4.7
|
14.6
|
1.0
|
|
C
|
B:ASP143
|
4.7
|
14.2
|
1.0
|
|
O
|
B:PRO148
|
4.7
|
9.3
|
1.0
|
|
CE2
|
B:TYR131
|
4.9
|
14.4
|
1.0
|
|
CA
|
B:ASP143
|
4.9
|
12.8
|
1.0
|
|
CD2
|
B:TYR131
|
4.9
|
12.4
|
1.0
|
|
Calcium binding site 8 out
of 12 in 2qpu
Go back to
Calcium Binding Sites List in 2qpu
Calcium binding site 8 out
of 12 in the Sugar Tongs Mutant S378P in Complex with Acarbose
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Sugar Tongs Mutant S378P in Complex with Acarbose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca503
b:19.4
occ:1.00
|
O
|
B:HOH4557
|
2.3
|
15.3
|
1.0
|
|
O1
|
B:EDO2001
|
2.4
|
25.0
|
1.0
|
|
O2
|
B:EDO2001
|
2.5
|
26.3
|
1.0
|
|
O
|
B:HOH4801
|
2.5
|
21.1
|
1.0
|
|
O
|
B:HOH4542
|
2.5
|
25.2
|
1.0
|
|
O
|
B:HOH4353
|
2.5
|
25.7
|
1.0
|
|
O
|
B:HOH4558
|
2.6
|
25.8
|
1.0
|
|
C1
|
B:EDO2001
|
3.3
|
27.3
|
1.0
|
|
C2
|
B:EDO2001
|
3.4
|
27.9
|
1.0
|
|
O
|
B:HOH4556
|
4.0
|
16.2
|
1.0
|
|
O
|
B:HOH4322
|
4.2
|
9.6
|
1.0
|
|
O
|
B:HOH4337
|
4.6
|
17.9
|
1.0
|
|
OD1
|
B:ASP180
|
4.6
|
8.4
|
1.0
|
|
OE2
|
B:GLU205
|
4.6
|
13.1
|
1.0
|
|
OE1
|
B:GLU205
|
4.7
|
11.3
|
1.0
|
|
OD2
|
B:ASP291
|
4.7
|
10.8
|
1.0
|
|
OD1
|
B:ASP291
|
4.8
|
13.2
|
1.0
|
|
O
|
B:HOH4347
|
4.8
|
17.3
|
1.0
|
|
Calcium binding site 9 out
of 12 in 2qpu
Go back to
Calcium Binding Sites List in 2qpu
Calcium binding site 9 out
of 12 in the Sugar Tongs Mutant S378P in Complex with Acarbose
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Sugar Tongs Mutant S378P in Complex with Acarbose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca500
b:7.7
occ:1.00
|
O
|
C:GLY184
|
2.3
|
9.5
|
1.0
|
|
OD2
|
C:ASP149
|
2.4
|
7.6
|
1.0
|
|
O
|
C:ALA142
|
2.4
|
11.9
|
1.0
|
|
OD1
|
C:ASN92
|
2.4
|
7.4
|
1.0
|
|
OD2
|
C:ASP139
|
2.4
|
10.4
|
1.0
|
|
O
|
C:HOH4160
|
2.5
|
7.6
|
1.0
|
|
OD1
|
C:ASP139
|
2.6
|
10.1
|
1.0
|
|
CG
|
C:ASP139
|
2.9
|
10.9
|
1.0
|
|
C
|
C:GLY184
|
3.3
|
10.1
|
1.0
|
|
CG
|
C:ASN92
|
3.4
|
7.7
|
1.0
|
|
CG
|
C:ASP149
|
3.5
|
8.8
|
1.0
|
|
C
|
C:ALA142
|
3.6
|
9.3
|
1.0
|
|
CA
|
C:GLY184
|
3.8
|
9.0
|
1.0
|
|
ND2
|
C:ASN92
|
3.9
|
8.4
|
1.0
|
|
CB
|
C:ASP149
|
3.9
|
7.3
|
1.0
|
|
C
|
C:GLY141
|
4.1
|
8.6
|
1.0
|
|
O
|
C:GLY141
|
4.2
|
10.0
|
1.0
|
|
N
|
C:ALA142
|
4.3
|
8.8
|
1.0
|
|
CA
|
C:ASP143
|
4.3
|
10.4
|
1.0
|
|
O
|
C:ASN92
|
4.3
|
6.1
|
1.0
|
|
N
|
C:ASP143
|
4.4
|
10.6
|
1.0
|
|
CB
|
C:ASP139
|
4.4
|
8.2
|
1.0
|
|
N
|
C:TYR185
|
4.5
|
8.4
|
1.0
|
|
OD1
|
C:ASP149
|
4.5
|
9.0
|
1.0
|
|
N
|
C:GLY141
|
4.6
|
9.7
|
1.0
|
|
CA
|
C:GLY141
|
4.6
|
9.9
|
1.0
|
|
CA
|
C:ALA142
|
4.6
|
9.2
|
1.0
|
|
CB
|
C:ASN92
|
4.7
|
6.9
|
1.0
|
|
O
|
C:HOH4200
|
4.8
|
9.3
|
1.0
|
|
O
|
C:HOH4245
|
4.8
|
12.2
|
1.0
|
|
SG
|
C:CYS125
|
4.9
|
9.6
|
1.0
|
|
CA
|
C:TYR185
|
4.9
|
8.7
|
1.0
|
|
CA
|
C:ASP149
|
5.0
|
7.6
|
1.0
|
|
C
|
C:ASN92
|
5.0
|
6.6
|
1.0
|
|
Calcium binding site 10 out
of 12 in 2qpu
Go back to
Calcium Binding Sites List in 2qpu
Calcium binding site 10 out
of 12 in the Sugar Tongs Mutant S378P in Complex with Acarbose
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Sugar Tongs Mutant S378P in Complex with Acarbose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca501
b:16.0
occ:1.00
|
O
|
C:ASP114
|
2.4
|
18.1
|
1.0
|
|
OD2
|
C:ASP118
|
2.4
|
11.9
|
1.0
|
|
O
|
C:HOH4176
|
2.4
|
11.9
|
1.0
|
|
OE2
|
C:GLU109
|
2.4
|
13.5
|
1.0
|
|
O
|
C:HOH4137
|
2.4
|
12.9
|
1.0
|
|
O
|
C:THR112
|
2.5
|
13.5
|
1.0
|
|
OD1
|
C:ASP118
|
2.6
|
12.2
|
1.0
|
|
CG
|
C:ASP118
|
2.9
|
13.2
|
1.0
|
|
OE1
|
C:GLU109
|
2.9
|
14.5
|
1.0
|
|
CD
|
C:GLU109
|
3.0
|
14.8
|
1.0
|
|
C
|
C:ASP114
|
3.6
|
17.5
|
1.0
|
|
C
|
C:THR112
|
3.7
|
16.6
|
1.0
|
|
N
|
C:THR112
|
4.1
|
14.2
|
1.0
|
|
OG1
|
C:THR112
|
4.2
|
17.6
|
1.0
|
|
N
|
C:GLY110
|
4.3
|
10.6
|
1.0
|
|
C
|
C:SER113
|
4.3
|
19.8
|
1.0
|
|
N
|
C:ASP114
|
4.3
|
19.5
|
1.0
|
|
O
|
C:HOH4082
|
4.3
|
27.9
|
1.0
|
|
CB
|
C:ASP118
|
4.4
|
10.9
|
1.0
|
|
O
|
C:SER113
|
4.4
|
22.9
|
1.0
|
|
CA
|
C:GLY115
|
4.4
|
16.0
|
1.0
|
|
O
|
C:ARG116
|
4.4
|
12.5
|
1.0
|
|
O
|
C:HOH4074
|
4.5
|
25.5
|
1.0
|
|
N
|
C:GLY115
|
4.5
|
17.7
|
1.0
|
|
CG
|
C:GLU109
|
4.5
|
13.6
|
1.0
|
|
CA
|
C:THR112
|
4.5
|
15.4
|
1.0
|
|
N
|
C:GLY111
|
4.5
|
10.9
|
1.0
|
|
CA
|
C:ASP114
|
4.6
|
20.0
|
1.0
|
|
O
|
C:HOH4450
|
4.6
|
31.0
|
1.0
|
|
N
|
C:SER113
|
4.6
|
17.0
|
1.0
|
|
O
|
C:HOH4440
|
4.7
|
24.9
|
1.0
|
|
C
|
C:GLY115
|
4.7
|
16.1
|
1.0
|
|
CA
|
C:SER113
|
4.7
|
19.9
|
1.0
|
|
N
|
C:ARG116
|
4.9
|
15.4
|
1.0
|
|
CA
|
C:GLY110
|
4.9
|
11.8
|
1.0
|
|
CA
|
C:GLU109
|
5.0
|
12.4
|
1.0
|
|
Reference:
S.Bozonnet,
M.T.Jensen,
M.M.Nielsen,
N.Aghajari,
M.H.Jensen,
B.Kramhoft,
M.Willemoes,
S.Tranier,
R.Haser,
B.Svensson.
The 'Pair of Sugar Tongs' Site on the Non-Catalytic Domain C of Barley Alpha-Amylase Participates in Substrate Binding and Activity Febs J. V. 274 5055 2007.
ISSN: ISSN 1742-464X
PubMed: 17803687
DOI: 10.1111/J.1742-4658.2007.06024.X
Page generated: Fri Jul 12 15:29:10 2024
|
