Cadmium in PDB 1dyp: 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase
Enzymatic activity of 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase
All present enzymatic activity of 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase:
3.2.1.83;
Protein crystallography data
The structure of 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase, PDB code: 1dyp
was solved by
G.Michel,
L.Chantalat,
O.Dideberg,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
24.25 /
1.54
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
56.408,
61.120,
75.523,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.8 /
19.3
|
Other elements in 1dyp:
The structure of 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase also contains other interesting chemical elements:
Cadmium Binding Sites:
The binding sites of Cadmium atom in the 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase
(pdb code 1dyp). This binding sites where shown within
5.0 Angstroms radius around Cadmium atom.
In total 7 binding sites of Cadmium where determined in the
1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase, PDB code: 1dyp:
Jump to Cadmium binding site number:
1;
2;
3;
4;
5;
6;
7;
Cadmium binding site 1 out
of 7 in 1dyp
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Cadmium Binding Sites List in 1dyp
Cadmium binding site 1 out
of 7 in the 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 1 of 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1298
b:8.7
occ:1.00
|
OE2
|
A:GLU241
|
2.4
|
8.2
|
1.0
|
O
|
A:HOH2344
|
2.4
|
10.5
|
1.0
|
OE1
|
A:GLU241
|
2.4
|
7.7
|
1.0
|
CL
|
A:CL1306
|
2.4
|
11.8
|
1.0
|
CL
|
A:CL1305
|
2.5
|
8.3
|
1.0
|
CD
|
A:GLU241
|
2.7
|
7.8
|
1.0
|
O
|
A:HOH2343
|
4.1
|
19.7
|
1.0
|
CG
|
A:GLU241
|
4.2
|
7.5
|
1.0
|
NZ
|
A:LYS229
|
4.5
|
9.1
|
1.0
|
CE
|
A:LYS229
|
4.8
|
9.1
|
1.0
|
O
|
A:HOH2329
|
4.8
|
22.5
|
1.0
|
CD
|
A:LYS229
|
4.9
|
9.0
|
1.0
|
|
Cadmium binding site 2 out
of 7 in 1dyp
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Cadmium Binding Sites List in 1dyp
Cadmium binding site 2 out
of 7 in the 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 2 of 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1299
b:13.7
occ:0.50
|
O
|
A:GLY79
|
2.3
|
11.2
|
1.0
|
O
|
A:HOH2064
|
2.3
|
8.1
|
1.0
|
O
|
A:ASP289
|
2.3
|
7.1
|
1.0
|
O
|
A:GLU48
|
2.3
|
7.7
|
1.0
|
O
|
A:HOH2052
|
2.4
|
8.8
|
1.0
|
OD1
|
A:ASP289
|
2.5
|
9.2
|
1.0
|
O
|
A:HOH2401
|
2.6
|
15.7
|
1.0
|
C
|
A:GLY79
|
3.3
|
11.7
|
1.0
|
C
|
A:ASP289
|
3.4
|
7.8
|
1.0
|
C
|
A:GLU48
|
3.5
|
7.8
|
1.0
|
CG
|
A:ASP289
|
3.6
|
9.2
|
1.0
|
CA
|
A:GLY79
|
3.8
|
12.2
|
1.0
|
CA
|
A:ASP289
|
3.9
|
8.0
|
1.0
|
CA
|
A:GLU48
|
4.2
|
7.8
|
1.0
|
CB
|
A:ASP289
|
4.4
|
8.5
|
1.0
|
CB
|
A:GLU48
|
4.4
|
8.2
|
1.0
|
OD2
|
A:ASP289
|
4.5
|
10.0
|
1.0
|
N
|
A:LYS80
|
4.5
|
11.1
|
1.0
|
N
|
A:TYR290
|
4.5
|
7.8
|
1.0
|
N
|
A:PHE49
|
4.6
|
7.8
|
1.0
|
O
|
A:PHE49
|
4.6
|
7.9
|
1.0
|
CB
|
A:TYR290
|
4.6
|
8.5
|
1.0
|
CB
|
A:PHE49
|
4.7
|
7.9
|
1.0
|
OE1
|
A:GLU48
|
4.7
|
9.1
|
1.0
|
C
|
A:PHE49
|
4.7
|
8.2
|
1.0
|
OD1
|
A:ASN50
|
4.8
|
9.1
|
1.0
|
O
|
A:HOH2041
|
4.8
|
23.1
|
1.0
|
CA
|
A:PHE49
|
4.8
|
7.9
|
1.0
|
CA
|
A:TYR290
|
4.9
|
7.9
|
1.0
|
CA
|
A:LYS80
|
4.9
|
10.7
|
1.0
|
CD
|
A:CD1303
|
4.9
|
22.9
|
0.4
|
|
Cadmium binding site 3 out
of 7 in 1dyp
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Cadmium Binding Sites List in 1dyp
Cadmium binding site 3 out
of 7 in the 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 3 of 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1300
b:12.6
occ:0.45
|
CL
|
A:CL1307
|
2.2
|
22.1
|
0.5
|
O
|
A:HOH2276
|
2.3
|
25.7
|
1.0
|
CL
|
A:CL1308
|
2.4
|
20.4
|
0.5
|
NE2
|
A:HIS183
|
2.4
|
8.8
|
1.0
|
O
|
A:HOH2131
|
2.4
|
27.0
|
1.0
|
O
|
A:HOH2253
|
2.5
|
17.0
|
1.0
|
CE1
|
A:HIS183
|
3.3
|
8.6
|
1.0
|
CD2
|
A:HIS183
|
3.3
|
8.4
|
1.0
|
O
|
A:HOH2259
|
3.9
|
24.5
|
1.0
|
O
|
A:HOH2251
|
4.0
|
26.5
|
1.0
|
O
|
A:HOH2286
|
4.1
|
30.6
|
1.0
|
O
|
A:HOH2256
|
4.1
|
13.8
|
1.0
|
ND1
|
A:HIS183
|
4.4
|
8.4
|
1.0
|
CG
|
A:HIS183
|
4.4
|
8.3
|
1.0
|
O
|
A:HOH2252
|
4.7
|
29.5
|
1.0
|
O
|
A:HOH2289
|
4.7
|
14.6
|
1.0
|
CH2
|
A:TRP266
|
4.8
|
14.4
|
1.0
|
OE2
|
A:GLU168
|
4.8
|
10.1
|
1.0
|
CD
|
A:PRO197
|
4.9
|
12.9
|
1.0
|
O
|
A:HOH2141
|
4.9
|
31.2
|
1.0
|
|
Cadmium binding site 4 out
of 7 in 1dyp
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Cadmium Binding Sites List in 1dyp
Cadmium binding site 4 out
of 7 in the 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 4 of 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1301
b:17.4
occ:0.45
|
OE1
|
A:GLU287
|
2.3
|
9.8
|
0.5
|
CL
|
A:CL1309
|
2.4
|
16.9
|
0.5
|
O
|
A:HOH2398
|
2.5
|
39.8
|
1.0
|
OE2
|
A:GLU287
|
2.5
|
9.8
|
0.5
|
CL
|
A:CL1310
|
2.6
|
26.2
|
0.5
|
CD
|
A:GLU287
|
2.7
|
9.6
|
0.5
|
OE1
|
A:GLU287
|
3.9
|
10.5
|
0.5
|
CG
|
A:GLU287
|
4.2
|
9.6
|
0.5
|
CG
|
A:GLU287
|
4.2
|
9.4
|
0.5
|
CD
|
A:GLU287
|
4.2
|
10.0
|
0.5
|
NZ
|
A:LYS131
|
4.6
|
13.8
|
1.0
|
CZ
|
A:PHE218
|
4.8
|
8.6
|
1.0
|
CB
|
A:GLU287
|
4.9
|
9.2
|
0.5
|
CB
|
A:GLU287
|
4.9
|
9.1
|
0.5
|
|
Cadmium binding site 5 out
of 7 in 1dyp
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Cadmium Binding Sites List in 1dyp
Cadmium binding site 5 out
of 7 in the 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 5 of 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1302
b:14.8
occ:0.40
|
O
|
A:SER285
|
2.3
|
9.5
|
1.0
|
OE2
|
A:GLU287
|
2.4
|
9.9
|
0.5
|
CL
|
A:CL1311
|
2.5
|
8.7
|
0.4
|
OG
|
A:SER285
|
2.8
|
10.1
|
0.5
|
O
|
A:HOH2399
|
2.8
|
23.5
|
1.0
|
C
|
A:SER285
|
3.2
|
9.4
|
1.0
|
CD
|
A:GLU287
|
3.3
|
10.0
|
0.5
|
OE1
|
A:GLU287
|
3.4
|
10.5
|
0.5
|
N
|
A:SER285
|
3.6
|
9.2
|
1.0
|
CA
|
A:SER285
|
3.6
|
9.4
|
1.0
|
CB
|
A:SER285
|
3.7
|
9.6
|
1.0
|
N
|
A:MSE286
|
4.3
|
9.3
|
1.0
|
CG
|
A:GLU287
|
4.3
|
9.4
|
0.5
|
OG
|
A:SER285
|
4.5
|
9.4
|
0.5
|
CA
|
A:ALA133
|
4.6
|
9.1
|
1.0
|
CD
|
A:GLU287
|
4.7
|
9.6
|
0.5
|
O
|
A:HOH2397
|
4.7
|
17.8
|
1.0
|
O
|
A:GLY132
|
4.7
|
8.9
|
1.0
|
CG
|
A:GLU287
|
4.7
|
9.6
|
0.5
|
OE2
|
A:GLU287
|
4.7
|
9.8
|
0.5
|
CA
|
A:MSE286
|
4.8
|
9.3
|
1.0
|
O
|
A:HOH2312
|
4.8
|
17.0
|
1.0
|
N
|
A:SER134
|
4.8
|
9.3
|
1.0
|
C
|
A:THR284
|
4.9
|
9.2
|
1.0
|
C
|
A:MSE286
|
5.0
|
9.0
|
1.0
|
|
Cadmium binding site 6 out
of 7 in 1dyp
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Cadmium Binding Sites List in 1dyp
Cadmium binding site 6 out
of 7 in the 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 6 of 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1303
b:22.9
occ:0.40
|
OD2
|
A:ASP289
|
2.1
|
10.0
|
1.0
|
O
|
A:HOH2400
|
2.3
|
29.0
|
1.0
|
O
|
A:HOH2041
|
2.5
|
23.1
|
1.0
|
CG
|
A:ASP289
|
3.0
|
9.2
|
1.0
|
OD1
|
A:ASP289
|
3.2
|
9.2
|
1.0
|
O
|
A:HOH2221
|
3.4
|
28.9
|
1.0
|
O
|
A:HOH2401
|
3.7
|
15.7
|
1.0
|
NH1
|
A:ARG129
|
3.7
|
11.6
|
1.0
|
O
|
A:HOH2052
|
4.1
|
8.8
|
1.0
|
CB
|
A:ASP289
|
4.4
|
8.5
|
1.0
|
CZ
|
A:ARG129
|
4.6
|
11.5
|
1.0
|
O
|
A:HOH2219
|
4.6
|
33.6
|
1.0
|
CD2
|
A:TYR290
|
4.9
|
9.3
|
1.0
|
CD
|
A:CD1299
|
4.9
|
13.7
|
0.5
|
CD
|
A:ARG129
|
5.0
|
10.6
|
1.0
|
|
Cadmium binding site 7 out
of 7 in 1dyp
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Cadmium Binding Sites List in 1dyp
Cadmium binding site 7 out
of 7 in the 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 7 of 1,3-Alpha-1,4-Beta-D-Galactose-4-Sulfate- 3,6-Anhydro-D-Galactose 4 Galactohydrolase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1304
b:23.7
occ:0.40
|
OE2
|
A:GLU72
|
2.2
|
12.9
|
0.5
|
OE1
|
A:GLU72
|
2.4
|
12.7
|
0.5
|
CD
|
A:GLU72
|
2.6
|
12.8
|
1.0
|
O
|
A:HOH2115
|
3.6
|
23.2
|
1.0
|
O
|
A:HOH2139
|
4.0
|
13.9
|
1.0
|
CG
|
A:GLU72
|
4.1
|
11.9
|
1.0
|
O
|
A:HOH2112
|
4.4
|
27.4
|
1.0
|
NZ
|
A:LYS86
|
4.8
|
13.3
|
1.0
|
CB
|
A:GLU72
|
4.8
|
11.2
|
1.0
|
|
Reference:
G.Michel,
L.Chantalat,
E.Duee,
T.Barbeyron,
B.Henrissat,
B.Kloareg,
O.Dideberg.
The Kappa-Carrageenase of P. Carrageenovora Features A Tunnel-Shaped Active Site: A Novel Insight in the Evolution of Clan-B Glycoside Hydrolases Structure V. 9 513 2001.
ISSN: ISSN 0969-2126
PubMed: 11435116
DOI: 10.1016/S0969-2126(01)00612-8
Page generated: Fri Jul 19 13:14:01 2024
|