Calcium in PDB 3azy: Crystal Structure of the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8
Enzymatic activity of Crystal Structure of the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8
All present enzymatic activity of Crystal Structure of the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8:
3.2.1.39;
Protein crystallography data
The structure of Crystal Structure of the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8, PDB code: 3azy
was solved by
W.Y.Jeng,
N.C.Wang,
A.H.J.Wang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
24.60 /
1.65
|
Space group
|
P 43
|
Cell size a, b, c (Å), α, β, γ (°)
|
120.420,
120.420,
107.195,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
16.3 /
19.2
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8
(pdb code 3azy). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
Crystal Structure of the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8, PDB code: 3azy:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 3azy
Go back to
Calcium Binding Sites List in 3azy
Calcium binding site 1 out
of 4 in the Crystal Structure of the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8
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 the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca301
b:22.1
occ:1.00
|
O
|
A:GLU17
|
2.3
|
19.7
|
1.0
|
O
|
A:GLY61
|
2.3
|
20.2
|
1.0
|
OD1
|
A:ASP249
|
2.3
|
20.1
|
1.0
|
O
|
A:ASP249
|
2.4
|
16.4
|
1.0
|
O
|
A:HOH420
|
2.4
|
24.1
|
1.0
|
O
|
A:HOH462
|
2.5
|
30.1
|
1.0
|
OD1
|
A:ASP19
|
2.7
|
28.1
|
1.0
|
C
|
A:ASP249
|
3.4
|
15.7
|
1.0
|
C
|
A:GLY61
|
3.4
|
19.8
|
1.0
|
C
|
A:GLU17
|
3.5
|
19.1
|
1.0
|
CG
|
A:ASP249
|
3.5
|
17.7
|
1.0
|
CG
|
A:ASP19
|
3.7
|
26.5
|
1.0
|
CA
|
A:ASP249
|
3.9
|
16.7
|
1.0
|
CA
|
A:GLY61
|
4.0
|
20.5
|
1.0
|
OD2
|
A:ASP19
|
4.0
|
27.8
|
1.0
|
CA
|
A:GLU17
|
4.2
|
18.2
|
1.0
|
O
|
A:HOH736
|
4.3
|
49.9
|
1.0
|
CB
|
A:ASP249
|
4.3
|
17.9
|
1.0
|
OD2
|
A:ASP249
|
4.4
|
20.7
|
1.0
|
C
|
A:PHE18
|
4.5
|
21.2
|
1.0
|
O
|
A:PHE18
|
4.5
|
21.6
|
1.0
|
N
|
A:PHE18
|
4.5
|
19.2
|
1.0
|
N
|
A:TYR250
|
4.5
|
16.2
|
1.0
|
N
|
A:CYS62
|
4.6
|
19.1
|
1.0
|
CB
|
A:GLU17
|
4.6
|
18.8
|
1.0
|
OE1
|
A:GLU17
|
4.7
|
22.2
|
1.0
|
CB
|
A:PHE18
|
4.7
|
19.3
|
1.0
|
CB
|
A:TYR250
|
4.7
|
16.6
|
1.0
|
CA
|
A:PHE18
|
4.8
|
19.9
|
1.0
|
N
|
A:ASP19
|
4.8
|
22.3
|
1.0
|
CA
|
A:CYS62
|
4.9
|
18.6
|
1.0
|
CA
|
A:TYR250
|
4.9
|
15.9
|
1.0
|
CB
|
A:ASP19
|
5.0
|
25.0
|
1.0
|
|
Calcium binding site 2 out
of 4 in 3azy
Go back to
Calcium Binding Sites List in 3azy
Calcium binding site 2 out
of 4 in the Crystal Structure of the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8
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 the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca301
b:21.0
occ:1.00
|
O
|
B:HOH438
|
2.3
|
23.0
|
1.0
|
O
|
B:GLY61
|
2.3
|
18.1
|
1.0
|
O
|
B:GLU17
|
2.4
|
20.3
|
1.0
|
OD1
|
B:ASP249
|
2.4
|
20.3
|
1.0
|
O
|
B:ASP249
|
2.4
|
18.5
|
1.0
|
O
|
B:HOH773
|
2.5
|
29.8
|
1.0
|
OD1
|
B:ASP19
|
2.7
|
29.4
|
1.0
|
C
|
B:ASP249
|
3.4
|
18.1
|
1.0
|
C
|
B:GLY61
|
3.4
|
17.7
|
1.0
|
C
|
B:GLU17
|
3.5
|
20.3
|
1.0
|
CG
|
B:ASP249
|
3.6
|
18.9
|
1.0
|
CG
|
B:ASP19
|
3.6
|
30.8
|
1.0
|
CA
|
B:ASP249
|
3.9
|
18.4
|
1.0
|
CA
|
B:GLY61
|
3.9
|
18.2
|
1.0
|
OD2
|
B:ASP19
|
4.0
|
34.5
|
1.0
|
O
|
B:HOH608
|
4.3
|
37.1
|
1.0
|
CA
|
B:GLU17
|
4.3
|
19.8
|
1.0
|
CB
|
B:ASP249
|
4.3
|
18.6
|
1.0
|
OD2
|
B:ASP249
|
4.5
|
21.0
|
1.0
|
O
|
B:PHE18
|
4.5
|
22.1
|
1.0
|
C
|
B:PHE18
|
4.5
|
23.0
|
1.0
|
N
|
B:TYR250
|
4.5
|
17.9
|
1.0
|
CB
|
B:GLU17
|
4.6
|
19.2
|
1.0
|
N
|
B:CYS62
|
4.6
|
16.7
|
1.0
|
N
|
B:PHE18
|
4.6
|
20.4
|
1.0
|
CB
|
B:PHE18
|
4.7
|
20.3
|
1.0
|
OE1
|
B:GLU17
|
4.7
|
22.7
|
1.0
|
CB
|
B:TYR250
|
4.8
|
17.8
|
1.0
|
CA
|
B:PHE18
|
4.8
|
21.1
|
1.0
|
CA
|
B:CYS62
|
4.9
|
17.8
|
1.0
|
N
|
B:ASP19
|
4.9
|
25.4
|
1.0
|
CB
|
B:ASP19
|
4.9
|
29.5
|
1.0
|
CA
|
B:TYR250
|
4.9
|
17.6
|
1.0
|
|
Calcium binding site 3 out
of 4 in 3azy
Go back to
Calcium Binding Sites List in 3azy
Calcium binding site 3 out
of 4 in the Crystal Structure of the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8
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 the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca301
b:18.8
occ:1.00
|
O
|
C:GLY61
|
2.3
|
17.9
|
1.0
|
O
|
C:GLU17
|
2.3
|
17.1
|
1.0
|
OD1
|
C:ASP249
|
2.4
|
19.3
|
1.0
|
O
|
C:HOH530
|
2.4
|
21.3
|
1.0
|
O
|
C:ASP249
|
2.4
|
16.9
|
1.0
|
O
|
C:HOH614
|
2.6
|
26.4
|
1.0
|
OD1
|
C:ASP19
|
2.7
|
25.5
|
1.0
|
C
|
C:ASP249
|
3.4
|
16.1
|
1.0
|
C
|
C:GLY61
|
3.4
|
16.7
|
1.0
|
C
|
C:GLU17
|
3.5
|
17.7
|
1.0
|
CG
|
C:ASP249
|
3.5
|
17.0
|
1.0
|
CG
|
C:ASP19
|
3.6
|
28.0
|
1.0
|
CA
|
C:ASP249
|
3.9
|
15.7
|
1.0
|
CA
|
C:GLY61
|
3.9
|
17.2
|
1.0
|
OD2
|
C:ASP19
|
3.9
|
31.8
|
1.0
|
CA
|
C:GLU17
|
4.2
|
17.3
|
1.0
|
CB
|
C:ASP249
|
4.3
|
16.2
|
1.0
|
OD2
|
C:ASP249
|
4.4
|
20.1
|
1.0
|
C
|
C:PHE18
|
4.5
|
19.4
|
1.0
|
N
|
C:TYR250
|
4.5
|
16.1
|
1.0
|
N
|
C:PHE18
|
4.5
|
17.2
|
1.0
|
O
|
C:PHE18
|
4.5
|
18.1
|
1.0
|
CB
|
C:GLU17
|
4.5
|
17.1
|
1.0
|
N
|
C:CYS62
|
4.5
|
15.8
|
1.0
|
O
|
C:HOH802
|
4.6
|
43.5
|
1.0
|
CB
|
C:PHE18
|
4.6
|
18.0
|
1.0
|
OE1
|
C:GLU17
|
4.7
|
20.8
|
1.0
|
CA
|
C:PHE18
|
4.7
|
17.9
|
1.0
|
CB
|
C:TYR250
|
4.8
|
16.9
|
1.0
|
N
|
C:ASP19
|
4.8
|
21.4
|
1.0
|
CA
|
C:CYS62
|
4.9
|
16.2
|
1.0
|
CA
|
C:TYR250
|
4.9
|
16.1
|
1.0
|
CB
|
C:ASP19
|
4.9
|
26.4
|
1.0
|
|
Calcium binding site 4 out
of 4 in 3azy
Go back to
Calcium Binding Sites List in 3azy
Calcium binding site 4 out
of 4 in the Crystal Structure of the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8
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 the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca301
b:21.0
occ:1.00
|
O
|
D:GLY61
|
2.3
|
18.1
|
1.0
|
O
|
D:GLU17
|
2.3
|
17.5
|
1.0
|
O
|
D:HOH381
|
2.4
|
25.0
|
1.0
|
O
|
D:ASP249
|
2.4
|
15.7
|
1.0
|
OD1
|
D:ASP249
|
2.4
|
19.8
|
1.0
|
O
|
D:HOH597
|
2.4
|
29.7
|
1.0
|
OD1
|
D:ASP19
|
2.7
|
27.1
|
1.0
|
C
|
D:ASP249
|
3.4
|
16.2
|
1.0
|
C
|
D:GLY61
|
3.4
|
18.1
|
1.0
|
C
|
D:GLU17
|
3.5
|
17.7
|
1.0
|
CG
|
D:ASP249
|
3.6
|
18.2
|
1.0
|
CG
|
D:ASP19
|
3.6
|
26.1
|
1.0
|
OD2
|
D:ASP19
|
3.9
|
27.1
|
1.0
|
CA
|
D:ASP249
|
3.9
|
15.9
|
1.0
|
CA
|
D:GLY61
|
4.0
|
18.9
|
1.0
|
CA
|
D:GLU17
|
4.2
|
17.4
|
1.0
|
CB
|
D:ASP249
|
4.3
|
17.1
|
1.0
|
O
|
D:PHE18
|
4.5
|
21.1
|
1.0
|
OD2
|
D:ASP249
|
4.5
|
20.7
|
1.0
|
C
|
D:PHE18
|
4.5
|
20.5
|
1.0
|
N
|
D:TYR250
|
4.5
|
15.9
|
1.0
|
N
|
D:PHE18
|
4.5
|
17.9
|
1.0
|
N
|
D:CYS62
|
4.5
|
17.4
|
1.0
|
CB
|
D:GLU17
|
4.6
|
17.5
|
1.0
|
OE1
|
D:GLU17
|
4.6
|
20.6
|
1.0
|
CB
|
D:PHE18
|
4.7
|
17.9
|
1.0
|
CB
|
D:TYR250
|
4.8
|
16.0
|
1.0
|
CA
|
D:PHE18
|
4.8
|
18.7
|
1.0
|
CA
|
D:CYS62
|
4.8
|
17.2
|
1.0
|
N
|
D:ASP19
|
4.8
|
21.9
|
1.0
|
CA
|
D:TYR250
|
4.9
|
15.3
|
1.0
|
CB
|
D:ASP19
|
4.9
|
24.7
|
1.0
|
|
Reference:
W.Y.Jeng,
N.C.Wang,
C.T.Lin,
L.F.Shyur,
A.H.Wang.
Crystal Structures of the Laminarinase Catalytic Domain From Thermotoga Maritima MSB8 in Complex with Inhibitors: Essential Residues For Beta-1,3 and Beta-1,4 Glucan Selection. J.Biol.Chem. V. 286 45030 2011.
ISSN: ISSN 0021-9258
PubMed: 22065588
DOI: 10.1074/JBC.M111.271213
Page generated: Sat Jul 13 08:04:11 2024
|