Sodium in PDB 1rv8: Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt
Enzymatic activity of Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt
All present enzymatic activity of Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt:
4.1.2.13;
Protein crystallography data
The structure of Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt, PDB code: 1rv8
was solved by
T.Izard,
J.Sygusch,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
40.43 /
2.30
|
Space group
|
P 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
99.354,
57.629,
138.577,
90.00,
90.23,
90.00
|
R / Rfree (%)
|
21.1 /
25.2
|
Other elements in 1rv8:
The structure of Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt also contains other interesting chemical elements:
Sodium Binding Sites:
The binding sites of Sodium atom in the Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt
(pdb code 1rv8). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the
Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt, PDB code: 1rv8:
Jump to Sodium binding site number:
1;
2;
3;
4;
Sodium binding site 1 out
of 4 in 1rv8
Go back to
Sodium Binding Sites List in 1rv8
Sodium binding site 1 out
of 4 in the Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na1704
b:46.3
occ:1.00
|
NE2
|
A:HIS78
|
2.8
|
21.2
|
1.0
|
OD2
|
A:ASP80
|
2.8
|
23.4
|
0.5
|
OE2
|
A:GLU130
|
2.9
|
28.3
|
1.0
|
OD2
|
A:ASP80
|
3.0
|
23.0
|
0.5
|
O
|
A:HOH1712
|
3.1
|
18.6
|
1.0
|
OE1
|
A:GLU130
|
3.2
|
28.0
|
1.0
|
NZ
|
A:LYS249
|
3.3
|
24.5
|
1.0
|
NE2
|
A:HIS208
|
3.3
|
31.8
|
0.5
|
CD
|
A:GLU130
|
3.4
|
28.3
|
1.0
|
CE1
|
A:HIS208
|
3.4
|
31.5
|
0.5
|
CG
|
A:ASP80
|
3.4
|
23.2
|
0.5
|
CE1
|
A:HIS208
|
3.5
|
31.8
|
0.5
|
ND2
|
A:ASN251
|
3.6
|
24.7
|
1.0
|
CD2
|
A:HIS78
|
3.7
|
21.3
|
1.0
|
SD
|
A:MET100
|
3.7
|
25.9
|
1.0
|
CE1
|
A:HIS78
|
3.8
|
21.3
|
1.0
|
CB
|
A:MET100
|
3.9
|
24.9
|
1.0
|
NE2
|
A:HIS208
|
3.9
|
31.5
|
0.5
|
CG
|
A:MET100
|
4.0
|
25.2
|
1.0
|
OD1
|
A:ASP80
|
4.0
|
23.3
|
0.5
|
CG
|
A:ASP80
|
4.0
|
22.8
|
0.5
|
CA
|
A:ASP80
|
4.1
|
23.1
|
0.5
|
CA
|
A:ASP80
|
4.2
|
22.9
|
0.5
|
CB
|
A:ASP80
|
4.2
|
23.2
|
0.5
|
ND1
|
A:HIS208
|
4.3
|
31.5
|
0.5
|
CD2
|
A:HIS208
|
4.3
|
31.8
|
0.5
|
O
|
A:HOH1918
|
4.3
|
55.1
|
1.0
|
N
|
A:HIS81
|
4.4
|
23.5
|
0.5
|
N
|
A:HIS81
|
4.4
|
23.2
|
0.5
|
CE
|
A:LYS249
|
4.5
|
24.8
|
1.0
|
ND1
|
A:HIS208
|
4.5
|
31.8
|
0.5
|
CB
|
A:ASP80
|
4.5
|
22.8
|
0.5
|
CG
|
A:ASN251
|
4.5
|
25.0
|
1.0
|
CD2
|
A:HIS81
|
4.7
|
24.1
|
0.5
|
C
|
A:ASP80
|
4.7
|
23.3
|
0.5
|
OD1
|
A:ASN251
|
4.7
|
24.8
|
1.0
|
O
|
A:LEU79
|
4.7
|
22.5
|
1.0
|
CG
|
A:GLU130
|
4.7
|
28.3
|
1.0
|
NE2
|
A:HIS81
|
4.8
|
24.3
|
0.5
|
CG
|
A:HIS78
|
4.8
|
21.3
|
1.0
|
ND1
|
A:HIS78
|
4.9
|
21.2
|
1.0
|
C
|
A:ASP80
|
4.9
|
23.1
|
0.5
|
CD2
|
A:HIS208
|
4.9
|
31.6
|
0.5
|
CG
|
A:HIS208
|
5.0
|
31.8
|
0.5
|
OD1
|
A:ASP80
|
5.0
|
22.8
|
0.5
|
CE
|
A:MET100
|
5.0
|
25.6
|
1.0
|
|
Sodium binding site 2 out
of 4 in 1rv8
Go back to
Sodium Binding Sites List in 1rv8
Sodium binding site 2 out
of 4 in the Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na1702
b:48.0
occ:1.00
|
NE2
|
B:HIS78
|
2.9
|
21.2
|
1.0
|
OE2
|
B:GLU130
|
2.9
|
29.5
|
1.0
|
OD2
|
B:ASP80
|
2.9
|
23.2
|
1.0
|
O
|
B:HOH1704
|
3.3
|
18.7
|
1.0
|
OE1
|
B:GLU130
|
3.3
|
29.5
|
1.0
|
CD
|
B:GLU130
|
3.3
|
29.6
|
1.0
|
NZ
|
B:LYS249
|
3.4
|
25.2
|
1.0
|
ND2
|
B:ASN251
|
3.5
|
28.0
|
1.0
|
CE1
|
B:HIS78
|
3.6
|
21.3
|
1.0
|
CG
|
B:MET100
|
3.7
|
30.7
|
1.0
|
NE2
|
B:HIS208
|
3.8
|
38.1
|
1.0
|
CB
|
B:MET100
|
3.9
|
30.1
|
1.0
|
N
|
B:HIS81
|
3.9
|
24.0
|
1.0
|
CA
|
B:ASP80
|
3.9
|
23.2
|
1.0
|
CD2
|
B:HIS78
|
4.0
|
21.1
|
1.0
|
CG
|
B:ASP80
|
4.0
|
23.2
|
1.0
|
ND1
|
B:HIS81
|
4.0
|
25.4
|
1.0
|
SD
|
B:MET100
|
4.0
|
31.4
|
1.0
|
CE
|
B:MET100
|
4.1
|
31.2
|
1.0
|
CE1
|
B:HIS208
|
4.1
|
38.0
|
1.0
|
CE1
|
B:HIS81
|
4.2
|
25.4
|
1.0
|
CB
|
B:ASP80
|
4.4
|
23.1
|
1.0
|
C
|
B:ASP80
|
4.4
|
23.6
|
1.0
|
CG
|
B:ASN251
|
4.4
|
28.1
|
1.0
|
OD1
|
B:ASN251
|
4.5
|
28.2
|
1.0
|
CE
|
B:LYS249
|
4.5
|
25.7
|
1.0
|
O
|
B:LEU79
|
4.5
|
22.2
|
1.0
|
CG
|
B:GLU130
|
4.6
|
29.6
|
1.0
|
CD2
|
B:HIS208
|
4.7
|
38.0
|
1.0
|
ND1
|
B:HIS78
|
4.8
|
21.2
|
1.0
|
CG
|
B:HIS81
|
4.9
|
25.2
|
1.0
|
CA
|
B:HIS81
|
4.9
|
24.5
|
1.0
|
N
|
B:ASP80
|
5.0
|
22.7
|
1.0
|
OD1
|
B:ASP80
|
5.0
|
23.0
|
1.0
|
|
Sodium binding site 3 out
of 4 in 1rv8
Go back to
Sodium Binding Sites List in 1rv8
Sodium binding site 3 out
of 4 in the Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na1708
b:48.9
occ:1.00
|
OD2
|
C:ASP80
|
2.8
|
23.5
|
1.0
|
OE2
|
C:GLU130
|
2.9
|
29.0
|
1.0
|
NE2
|
C:HIS78
|
3.0
|
22.1
|
1.0
|
O
|
C:HOH1709
|
3.0
|
12.9
|
1.0
|
OD1
|
C:ASN251
|
3.2
|
32.6
|
1.0
|
NZ
|
C:LYS249
|
3.3
|
33.4
|
1.0
|
NE2
|
C:HIS208
|
3.4
|
43.3
|
1.0
|
OE1
|
C:GLU130
|
3.4
|
29.2
|
1.0
|
CD
|
C:GLU130
|
3.5
|
29.1
|
1.0
|
CE1
|
C:HIS208
|
3.8
|
43.4
|
1.0
|
CG
|
C:ASP80
|
3.9
|
23.6
|
1.0
|
CE1
|
C:HIS78
|
3.9
|
22.3
|
1.0
|
CD2
|
C:HIS78
|
3.9
|
22.2
|
1.0
|
ND1
|
C:HIS81
|
4.0
|
26.0
|
1.0
|
SD
|
C:MET100
|
4.1
|
29.9
|
1.0
|
CG
|
C:MET100
|
4.1
|
29.4
|
1.0
|
N
|
C:HIS81
|
4.1
|
24.6
|
1.0
|
CA
|
C:ASP80
|
4.1
|
23.8
|
1.0
|
CG
|
C:ASN251
|
4.2
|
32.8
|
1.0
|
CE1
|
C:HIS81
|
4.2
|
26.2
|
1.0
|
CD2
|
C:HIS208
|
4.3
|
43.4
|
1.0
|
CB
|
C:MET100
|
4.3
|
29.0
|
1.0
|
O
|
C:HOH1834
|
4.3
|
43.6
|
1.0
|
ND2
|
C:ASN251
|
4.4
|
32.6
|
1.0
|
CB
|
C:ASP80
|
4.5
|
23.6
|
1.0
|
CE
|
C:LYS249
|
4.6
|
33.6
|
1.0
|
C
|
C:ASP80
|
4.6
|
24.1
|
1.0
|
ND1
|
C:HIS208
|
4.7
|
43.4
|
1.0
|
CE
|
C:MET100
|
4.7
|
29.6
|
1.0
|
O
|
C:LEU79
|
4.8
|
23.1
|
1.0
|
CG
|
C:GLU130
|
4.8
|
29.2
|
1.0
|
OD1
|
C:ASP80
|
4.8
|
23.5
|
1.0
|
CG
|
C:HIS81
|
5.0
|
25.8
|
1.0
|
|
Sodium binding site 4 out
of 4 in 1rv8
Go back to
Sodium Binding Sites List in 1rv8
Sodium binding site 4 out
of 4 in the Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na1706
b:30.0
occ:1.00
|
OE2
|
D:GLU130
|
2.8
|
24.5
|
1.0
|
NE2
|
D:HIS78
|
2.8
|
20.9
|
1.0
|
OD2
|
D:ASP80
|
2.9
|
23.4
|
1.0
|
O
|
D:HOH1716
|
3.0
|
21.6
|
1.0
|
NZ
|
D:LYS249
|
3.2
|
25.5
|
1.0
|
OE1
|
D:GLU130
|
3.3
|
24.7
|
1.0
|
CD
|
D:GLU130
|
3.3
|
24.7
|
1.0
|
ND2
|
D:ASN251
|
3.4
|
28.4
|
1.0
|
NE2
|
D:HIS208
|
3.7
|
33.7
|
1.0
|
CE1
|
D:HIS78
|
3.7
|
21.1
|
1.0
|
CG
|
D:ASP80
|
3.8
|
23.1
|
1.0
|
CD2
|
D:HIS78
|
3.8
|
20.9
|
1.0
|
CA
|
D:ASP80
|
4.0
|
22.5
|
1.0
|
N
|
D:HIS81
|
4.1
|
22.8
|
1.0
|
CG
|
D:MET100
|
4.1
|
26.5
|
1.0
|
CE1
|
D:HIS208
|
4.2
|
33.7
|
1.0
|
ND1
|
D:HIS81
|
4.2
|
23.1
|
1.0
|
OD1
|
D:ASN251
|
4.2
|
28.6
|
1.0
|
SD
|
D:MET100
|
4.2
|
27.4
|
1.0
|
CG
|
D:ASN251
|
4.3
|
28.7
|
1.0
|
CB
|
D:ASP80
|
4.3
|
22.6
|
1.0
|
CB
|
D:MET100
|
4.3
|
26.0
|
1.0
|
CE
|
D:LYS249
|
4.4
|
25.7
|
1.0
|
CE1
|
D:HIS81
|
4.4
|
23.0
|
1.0
|
CE
|
D:MET100
|
4.5
|
27.0
|
1.0
|
O
|
D:LEU79
|
4.5
|
22.0
|
1.0
|
C
|
D:ASP80
|
4.6
|
22.6
|
1.0
|
CD2
|
D:HIS208
|
4.6
|
33.7
|
1.0
|
CG
|
D:GLU130
|
4.6
|
24.8
|
1.0
|
OD1
|
D:ASP80
|
4.8
|
23.4
|
1.0
|
ND1
|
D:HIS78
|
4.9
|
21.0
|
1.0
|
CG
|
D:HIS78
|
5.0
|
21.1
|
1.0
|
|
Reference:
T.Izard,
J.Sygusch.
Induced Fit Movements and Metal Cofactor Selectivity of Class II Aldolases: Structure of Thermus Aquaticus Fructose-1,6-Bisphosphate Aldolase. J.Biol.Chem. V. 279 11825 2004.
ISSN: ISSN 0021-9258
PubMed: 14699122
DOI: 10.1074/JBC.M311375200
Page generated: Sun Oct 6 22:02:24 2024
|