Calcium in PDB 1pam: Cyclodextrin Glucanotransferase
Enzymatic activity of Cyclodextrin Glucanotransferase
All present enzymatic activity of Cyclodextrin Glucanotransferase:
2.4.1.19;
Protein crystallography data
The structure of Cyclodextrin Glucanotransferase, PDB code: 1pam
was solved by
K.Harata,
K.Haga,
A.Nakamura,
M.Aoyagi,
K.Yamane,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
10.00 /
1.80
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
64.930,
74.450,
79.120,
85.20,
105.00,
101.00
|
R / Rfree (%)
|
16.1 /
21.1
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Cyclodextrin Glucanotransferase
(pdb code 1pam). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
Cyclodextrin Glucanotransferase, PDB code: 1pam:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 1pam
Go back to
Calcium Binding Sites List in 1pam
Calcium binding site 1 out
of 4 in the Cyclodextrin Glucanotransferase
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Cyclodextrin Glucanotransferase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca687
b:15.1
occ:1.00
|
OD1
|
A:ASN33
|
2.1
|
17.5
|
1.0
|
OD1
|
A:ASN32
|
2.2
|
15.4
|
1.0
|
O
|
A:HOH732
|
2.2
|
17.8
|
1.0
|
O
|
A:ASN29
|
2.3
|
21.1
|
1.0
|
O
|
A:GLY51
|
2.3
|
15.0
|
1.0
|
OD1
|
A:ASP27
|
2.4
|
15.0
|
1.0
|
OD2
|
A:ASP53
|
2.5
|
18.0
|
1.0
|
CG
|
A:ASN33
|
3.3
|
16.5
|
1.0
|
CG
|
A:ASP27
|
3.4
|
14.8
|
1.0
|
C
|
A:ASN29
|
3.4
|
18.6
|
1.0
|
CG
|
A:ASN32
|
3.5
|
15.1
|
1.0
|
C
|
A:GLY51
|
3.5
|
11.1
|
1.0
|
CG
|
A:ASP53
|
3.5
|
17.0
|
1.0
|
OD2
|
A:ASP27
|
4.0
|
16.0
|
1.0
|
CB
|
A:ASP53
|
4.0
|
13.4
|
1.0
|
CA
|
A:GLY51
|
4.0
|
12.2
|
1.0
|
ND2
|
A:ASN33
|
4.1
|
18.5
|
1.0
|
N
|
A:ASN33
|
4.1
|
13.7
|
1.0
|
ND2
|
A:ASN32
|
4.2
|
14.4
|
1.0
|
N
|
A:PRO30
|
4.2
|
19.8
|
1.0
|
N
|
A:ASN29
|
4.3
|
18.8
|
1.0
|
O
|
A:ALA111
|
4.3
|
16.0
|
1.0
|
CA
|
A:PRO30
|
4.3
|
20.7
|
1.0
|
CA
|
A:ASN33
|
4.3
|
15.6
|
1.0
|
CA
|
A:ASN29
|
4.3
|
17.7
|
1.0
|
C
|
A:ASN32
|
4.3
|
13.5
|
1.0
|
CB
|
A:ASP27
|
4.4
|
12.8
|
1.0
|
CB
|
A:ASN33
|
4.4
|
15.7
|
1.0
|
CA
|
A:ASP27
|
4.5
|
14.6
|
1.0
|
OD1
|
A:ASP53
|
4.5
|
11.8
|
1.0
|
N
|
A:GLY52
|
4.6
|
13.7
|
1.0
|
CB
|
A:ASN32
|
4.6
|
15.8
|
1.0
|
CB
|
A:ASN29
|
4.7
|
19.2
|
1.0
|
C
|
A:GLY52
|
4.7
|
12.4
|
1.0
|
N
|
A:ASN32
|
4.7
|
17.4
|
1.0
|
C
|
A:PRO30
|
4.7
|
18.0
|
1.0
|
O
|
A:PRO30
|
4.7
|
19.4
|
1.0
|
O
|
A:ASN32
|
4.8
|
15.1
|
1.0
|
CA
|
A:ASN32
|
4.8
|
13.7
|
1.0
|
O
|
A:HOH743
|
4.9
|
18.9
|
1.0
|
O
|
A:GLY52
|
4.9
|
13.1
|
1.0
|
N
|
A:ASP53
|
4.9
|
11.3
|
1.0
|
C
|
A:ASP27
|
4.9
|
15.0
|
1.0
|
CA
|
A:GLY52
|
5.0
|
11.8
|
1.0
|
|
Calcium binding site 2 out
of 4 in 1pam
Go back to
Calcium Binding Sites List in 1pam
Calcium binding site 2 out
of 4 in the Cyclodextrin Glucanotransferase
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Cyclodextrin Glucanotransferase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca688
b:26.3
occ:1.00
|
O
|
A:HOH746
|
2.3
|
19.2
|
1.0
|
OD1
|
A:ASN139
|
2.3
|
18.4
|
1.0
|
O
|
A:ILE190
|
2.4
|
14.6
|
1.0
|
O
|
A:HIS233
|
2.4
|
13.8
|
1.0
|
O
|
A:HOH725
|
2.4
|
16.9
|
1.0
|
O
|
A:HOH815
|
2.4
|
26.0
|
1.0
|
OD2
|
A:ASP199
|
2.7
|
24.4
|
1.0
|
OD1
|
A:ASP199
|
3.1
|
21.8
|
1.0
|
CG
|
A:ASP199
|
3.3
|
23.1
|
1.0
|
CG
|
A:ASN139
|
3.4
|
15.5
|
1.0
|
C
|
A:ILE190
|
3.5
|
15.0
|
1.0
|
C
|
A:HIS233
|
3.6
|
14.4
|
1.0
|
ND2
|
A:ASN139
|
3.9
|
19.1
|
1.0
|
CA
|
A:ILE190
|
4.1
|
14.2
|
1.0
|
O
|
A:ASN139
|
4.5
|
14.1
|
1.0
|
CA
|
A:MET234
|
4.5
|
14.0
|
1.0
|
O
|
A:GLY189
|
4.5
|
14.5
|
1.0
|
N
|
A:MET234
|
4.5
|
13.5
|
1.0
|
CB
|
A:HIS233
|
4.5
|
14.8
|
1.0
|
CA
|
A:HIS233
|
4.6
|
13.9
|
1.0
|
O
|
A:LYS192
|
4.6
|
21.4
|
1.0
|
N
|
A:TYR191
|
4.6
|
17.2
|
1.0
|
CG
|
A:MET234
|
4.6
|
11.9
|
1.0
|
ND1
|
A:HIS176
|
4.7
|
16.6
|
1.0
|
CB
|
A:ASN139
|
4.7
|
13.7
|
1.0
|
CB
|
A:ASP199
|
4.7
|
18.1
|
1.0
|
CG2
|
A:ILE190
|
4.8
|
11.6
|
1.0
|
CE1
|
A:HIS176
|
4.9
|
19.1
|
1.0
|
O
|
A:HOH808
|
4.9
|
25.6
|
1.0
|
CA
|
A:TYR191
|
5.0
|
15.6
|
1.0
|
|
Calcium binding site 3 out
of 4 in 1pam
Go back to
Calcium Binding Sites List in 1pam
Calcium binding site 3 out
of 4 in the Cyclodextrin Glucanotransferase
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Cyclodextrin Glucanotransferase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca687
b:19.0
occ:1.00
|
OD1
|
B:ASN33
|
2.1
|
20.0
|
1.0
|
OD1
|
B:ASN32
|
2.1
|
25.1
|
1.0
|
O
|
B:HOH746
|
2.2
|
21.8
|
1.0
|
O
|
B:ASN29
|
2.3
|
23.4
|
1.0
|
O
|
B:GLY51
|
2.4
|
18.3
|
1.0
|
OD1
|
B:ASP27
|
2.5
|
18.9
|
1.0
|
OD2
|
B:ASP53
|
2.5
|
18.2
|
1.0
|
CG
|
B:ASN32
|
3.4
|
24.0
|
1.0
|
CG
|
B:ASN33
|
3.4
|
19.1
|
1.0
|
C
|
B:ASN29
|
3.4
|
20.0
|
1.0
|
CG
|
B:ASP27
|
3.5
|
19.5
|
1.0
|
CG
|
B:ASP53
|
3.5
|
19.3
|
1.0
|
C
|
B:GLY51
|
3.5
|
15.9
|
1.0
|
CB
|
B:ASP53
|
3.9
|
15.1
|
1.0
|
CA
|
B:GLY51
|
4.0
|
15.6
|
1.0
|
ND2
|
B:ASN32
|
4.0
|
27.7
|
1.0
|
OD2
|
B:ASP27
|
4.1
|
20.9
|
1.0
|
ND2
|
B:ASN33
|
4.1
|
18.5
|
1.0
|
N
|
B:ASN33
|
4.1
|
19.3
|
1.0
|
O
|
B:ALA111
|
4.2
|
17.4
|
1.0
|
N
|
B:PRO30
|
4.2
|
23.3
|
1.0
|
N
|
B:ASN29
|
4.3
|
21.1
|
1.0
|
CA
|
B:ASN33
|
4.3
|
20.9
|
1.0
|
CA
|
B:PRO30
|
4.3
|
24.8
|
1.0
|
C
|
B:ASN32
|
4.4
|
19.9
|
1.0
|
CA
|
B:ASN29
|
4.4
|
20.8
|
1.0
|
CB
|
B:ASP27
|
4.4
|
18.3
|
1.0
|
CB
|
B:ASN33
|
4.5
|
18.4
|
1.0
|
OD1
|
B:ASP53
|
4.5
|
17.8
|
1.0
|
CA
|
B:ASP27
|
4.5
|
19.3
|
1.0
|
CB
|
B:ASN32
|
4.6
|
24.2
|
1.0
|
N
|
B:GLY52
|
4.6
|
17.8
|
1.0
|
C
|
B:GLY52
|
4.7
|
15.2
|
1.0
|
CB
|
B:ASN29
|
4.7
|
19.5
|
1.0
|
O
|
B:HOH726
|
4.7
|
20.1
|
1.0
|
N
|
B:ASN32
|
4.8
|
22.6
|
1.0
|
O
|
B:ASN32
|
4.8
|
20.6
|
1.0
|
C
|
B:PRO30
|
4.8
|
24.8
|
1.0
|
CA
|
B:ASN32
|
4.8
|
21.9
|
1.0
|
N
|
B:ASP53
|
4.9
|
14.0
|
1.0
|
O
|
B:GLY52
|
4.9
|
14.8
|
1.0
|
O
|
B:PRO30
|
4.9
|
26.4
|
1.0
|
C
|
B:ASP27
|
4.9
|
18.9
|
1.0
|
|
Calcium binding site 4 out
of 4 in 1pam
Go back to
Calcium Binding Sites List in 1pam
Calcium binding site 4 out
of 4 in the Cyclodextrin Glucanotransferase
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Cyclodextrin Glucanotransferase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca688
b:27.1
occ:1.00
|
O
|
B:HOH785
|
2.2
|
26.2
|
1.0
|
O
|
B:HOH700
|
2.3
|
15.6
|
1.0
|
OD1
|
B:ASN139
|
2.3
|
17.8
|
1.0
|
O
|
B:ILE190
|
2.4
|
17.6
|
1.0
|
O
|
B:HIS233
|
2.4
|
15.4
|
1.0
|
O
|
B:HOH754
|
2.5
|
22.7
|
1.0
|
OD2
|
B:ASP199
|
2.8
|
29.9
|
1.0
|
OD1
|
B:ASP199
|
2.9
|
28.0
|
1.0
|
CG
|
B:ASP199
|
3.2
|
27.1
|
1.0
|
CG
|
B:ASN139
|
3.4
|
15.8
|
1.0
|
C
|
B:ILE190
|
3.5
|
18.5
|
1.0
|
C
|
B:HIS233
|
3.7
|
18.1
|
1.0
|
ND2
|
B:ASN139
|
4.0
|
20.6
|
1.0
|
CA
|
B:ILE190
|
4.2
|
18.4
|
1.0
|
O
|
B:ASN139
|
4.4
|
17.9
|
1.0
|
CB
|
B:HIS233
|
4.4
|
14.3
|
1.0
|
O
|
B:GLY189
|
4.5
|
19.4
|
1.0
|
CA
|
B:MET234
|
4.5
|
16.0
|
1.0
|
N
|
B:MET234
|
4.5
|
15.4
|
1.0
|
CA
|
B:HIS233
|
4.6
|
16.5
|
1.0
|
O
|
B:LYS192
|
4.6
|
23.2
|
1.0
|
CG
|
B:MET234
|
4.6
|
16.2
|
1.0
|
N
|
B:TYR191
|
4.7
|
18.1
|
1.0
|
CB
|
B:ASP199
|
4.7
|
21.6
|
1.0
|
CB
|
B:ASN139
|
4.7
|
14.6
|
1.0
|
ND1
|
B:HIS176
|
4.8
|
21.1
|
1.0
|
CG2
|
B:ILE190
|
4.8
|
16.7
|
1.0
|
O
|
B:LEU200
|
4.9
|
15.8
|
1.0
|
CA
|
B:TYR191
|
5.0
|
20.8
|
1.0
|
|
Reference:
K.Harata,
K.Haga,
A.Nakamura,
M.Aoyagi,
K.Yamane.
X-Ray Structure of Cyclodextrin Glucanotransferase From Alkalophilic Bacillus Sp. 1011. Comparison of Two Independent Molecules at 1.8 A Resolution. Acta Crystallogr.,Sect.D V. 52 1136 1996.
ISSN: ISSN 0907-4449
PubMed: 15299574
DOI: 10.1107/S0907444996008438
Page generated: Thu Jul 11 13:41:30 2024
|