Cobalt 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:
Cobalt Binding Sites:
The binding sites of Cobalt 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 Cobalt atom.
In total 5 binding sites of Cobalt where determined in the
Class II Fructose-1,6-Bisphosphate Aldolase From Thermus Aquaticus in Complex with Cobalt, PDB code: 1rv8:
Jump to Cobalt binding site number:
1;
2;
3;
4;
5;
Cobalt binding site 1 out
of 5 in 1rv8
Go back to
Cobalt Binding Sites List in 1rv8
Cobalt binding site 1 out
of 5 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 Cobalt with other atoms in the Co 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:Co1703
b:37.7
occ:0.50
|
NE2
|
A:HIS178
|
2.1
|
40.4
|
0.5
|
ND1
|
A:HIS208
|
2.2
|
31.5
|
0.5
|
NE2
|
A:HIS81
|
2.3
|
24.3
|
0.5
|
O
|
A:HOH1918
|
2.3
|
55.1
|
1.0
|
CE1
|
A:HIS178
|
2.4
|
40.5
|
0.5
|
CO
|
A:CO1709
|
2.5
|
53.6
|
0.5
|
ND1
|
A:HIS208
|
2.5
|
31.8
|
0.5
|
CE1
|
A:HIS178
|
2.6
|
40.4
|
0.5
|
CE1
|
A:HIS81
|
2.6
|
24.3
|
0.5
|
NE2
|
A:HIS81
|
2.8
|
23.8
|
0.5
|
CG
|
A:HIS208
|
2.9
|
31.8
|
0.5
|
CB
|
A:HIS208
|
2.9
|
31.8
|
0.5
|
CG
|
A:HIS208
|
3.0
|
31.6
|
0.5
|
NE2
|
A:HIS178
|
3.0
|
40.6
|
0.5
|
CB
|
A:HIS208
|
3.1
|
31.6
|
0.5
|
O
|
A:HOH1868
|
3.1
|
45.3
|
1.0
|
CE1
|
A:HIS208
|
3.3
|
31.5
|
0.5
|
CD2
|
A:HIS178
|
3.4
|
40.4
|
0.5
|
ND1
|
A:HIS178
|
3.4
|
40.5
|
0.5
|
CE1
|
A:HIS208
|
3.5
|
31.8
|
0.5
|
CE1
|
A:HIS81
|
3.5
|
23.7
|
0.5
|
CD2
|
A:HIS81
|
3.6
|
23.7
|
0.5
|
CD2
|
A:HIS81
|
3.6
|
24.1
|
0.5
|
ND2
|
A:ASN251
|
3.9
|
24.7
|
1.0
|
ND1
|
A:HIS178
|
3.9
|
40.4
|
0.5
|
CD2
|
A:HIS208
|
3.9
|
31.8
|
0.5
|
CA
|
A:HIS208
|
3.9
|
31.8
|
0.5
|
ND1
|
A:HIS81
|
3.9
|
24.2
|
0.5
|
CA
|
A:HIS208
|
4.0
|
31.7
|
0.5
|
O
|
A:HOH1736
|
4.1
|
29.2
|
1.0
|
NE2
|
A:HIS208
|
4.2
|
31.8
|
0.5
|
CD2
|
A:HIS208
|
4.2
|
31.6
|
0.5
|
N
|
A:GLY209
|
4.2
|
32.4
|
0.5
|
CD2
|
A:HIS178
|
4.2
|
40.5
|
0.5
|
N
|
A:GLY209
|
4.2
|
32.3
|
0.5
|
CG
|
A:HIS178
|
4.3
|
40.4
|
0.5
|
OD2
|
A:ASP80
|
4.3
|
23.4
|
0.5
|
NE2
|
A:HIS208
|
4.3
|
31.5
|
0.5
|
OD2
|
A:ASP80
|
4.4
|
23.0
|
0.5
|
CD1
|
A:LEU136
|
4.4
|
45.2
|
0.5
|
CG
|
A:HIS178
|
4.4
|
40.5
|
0.5
|
CG
|
A:HIS81
|
4.5
|
24.1
|
0.5
|
C
|
A:HIS208
|
4.5
|
32.1
|
0.5
|
ND1
|
A:HIS81
|
4.5
|
23.6
|
0.5
|
CG
|
A:HIS81
|
4.6
|
23.6
|
0.5
|
C
|
A:HIS208
|
4.6
|
31.9
|
0.5
|
OD1
|
A:ASP80
|
4.8
|
23.3
|
0.5
|
OD1
|
A:ASP80
|
4.9
|
22.8
|
0.5
|
CG
|
A:ASN251
|
4.9
|
25.0
|
1.0
|
CG
|
A:ASP80
|
5.0
|
23.2
|
0.5
|
|
Cobalt binding site 2 out
of 5 in 1rv8
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Cobalt Binding Sites List in 1rv8
Cobalt binding site 2 out
of 5 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 Cobalt with other atoms in the Co 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
|
A:Co1709
b:53.6
occ:0.50
|
NE2
|
A:HIS178
|
2.4
|
40.6
|
0.5
|
ND1
|
A:HIS208
|
2.4
|
31.8
|
0.5
|
CE1
|
A:HIS81
|
2.4
|
23.7
|
0.5
|
CO
|
A:CO1703
|
2.5
|
37.7
|
0.5
|
NE2
|
A:HIS81
|
2.5
|
23.8
|
0.5
|
CE1
|
A:HIS178
|
2.6
|
40.4
|
0.5
|
CD1
|
A:LEU136
|
2.6
|
45.2
|
0.5
|
ND1
|
A:HIS208
|
2.7
|
31.5
|
0.5
|
NE2
|
A:HIS81
|
2.8
|
24.3
|
0.5
|
CE1
|
A:HIS178
|
2.8
|
40.5
|
0.5
|
O
|
A:HOH1937
|
2.8
|
63.9
|
1.0
|
NE2
|
A:HIS178
|
3.3
|
40.4
|
0.5
|
CG
|
A:HIS208
|
3.3
|
31.8
|
0.5
|
CG
|
A:HIS208
|
3.3
|
31.6
|
0.5
|
CB
|
A:HIS208
|
3.4
|
31.8
|
0.5
|
CE1
|
A:HIS208
|
3.5
|
31.8
|
0.5
|
CB
|
A:HIS208
|
3.5
|
31.6
|
0.5
|
OE2
|
A:GLU132
|
3.5
|
33.6
|
0.5
|
CD2
|
A:HIS81
|
3.6
|
24.1
|
0.5
|
CE1
|
A:HIS208
|
3.6
|
31.5
|
0.5
|
CE1
|
A:HIS81
|
3.6
|
24.3
|
0.5
|
ND1
|
A:HIS178
|
3.7
|
40.4
|
0.5
|
CD2
|
A:HIS178
|
3.7
|
40.5
|
0.5
|
ND1
|
A:HIS81
|
3.7
|
23.6
|
0.5
|
CD2
|
A:HIS81
|
3.8
|
23.7
|
0.5
|
CG
|
A:LEU136
|
4.0
|
45.3
|
0.5
|
OE1
|
A:GLU132
|
4.1
|
33.8
|
0.5
|
ND1
|
A:HIS178
|
4.1
|
40.5
|
0.5
|
OE2
|
A:GLU132
|
4.1
|
33.8
|
0.5
|
CD
|
A:GLU132
|
4.2
|
33.6
|
0.5
|
CD2
|
A:HIS208
|
4.3
|
31.6
|
0.5
|
NE2
|
A:HIS208
|
4.4
|
31.5
|
0.5
|
CG
|
A:HIS81
|
4.4
|
23.6
|
0.5
|
CD2
|
A:HIS208
|
4.5
|
31.8
|
0.5
|
NE2
|
A:HIS208
|
4.5
|
31.8
|
0.5
|
CD2
|
A:HIS178
|
4.6
|
40.4
|
0.5
|
CG
|
A:HIS178
|
4.6
|
40.5
|
0.5
|
OE1
|
A:GLU132
|
4.6
|
33.8
|
0.5
|
CD
|
A:GLU132
|
4.6
|
33.7
|
0.5
|
CG
|
A:HIS81
|
4.6
|
24.1
|
0.5
|
OD1
|
A:ASP102
|
4.6
|
27.6
|
1.0
|
ND1
|
A:HIS81
|
4.6
|
24.2
|
0.5
|
O
|
A:HOH1918
|
4.7
|
55.1
|
1.0
|
CG
|
A:HIS178
|
4.8
|
40.4
|
0.5
|
CD2
|
A:LEU136
|
4.8
|
45.2
|
0.5
|
CA
|
A:HIS208
|
4.9
|
31.8
|
0.5
|
CA
|
A:HIS208
|
5.0
|
31.7
|
0.5
|
|
Cobalt binding site 3 out
of 5 in 1rv8
Go back to
Cobalt Binding Sites List in 1rv8
Cobalt binding site 3 out
of 5 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 Cobalt with other atoms in the Co 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
|
B:Co1701
b:32.5
occ:1.00
|
NE2
|
B:HIS178
|
2.0
|
42.2
|
1.0
|
OE2
|
B:GLU132
|
2.2
|
34.4
|
1.0
|
NE2
|
B:HIS81
|
2.2
|
25.6
|
1.0
|
ND1
|
B:HIS208
|
2.3
|
37.9
|
1.0
|
O
|
B:HOH1750
|
2.4
|
32.5
|
1.0
|
OE1
|
B:GLU132
|
2.5
|
34.3
|
1.0
|
CD
|
B:GLU132
|
2.6
|
34.2
|
1.0
|
CE1
|
B:HIS178
|
3.0
|
42.2
|
1.0
|
CD2
|
B:HIS178
|
3.0
|
42.1
|
1.0
|
CE1
|
B:HIS208
|
3.1
|
38.0
|
1.0
|
CE1
|
B:HIS81
|
3.1
|
25.4
|
1.0
|
CD2
|
B:HIS81
|
3.2
|
25.3
|
1.0
|
CG
|
B:HIS208
|
3.5
|
38.0
|
1.0
|
CB
|
B:HIS208
|
3.9
|
38.0
|
1.0
|
ND1
|
B:HIS178
|
4.1
|
42.2
|
1.0
|
CG
|
B:GLU132
|
4.1
|
33.9
|
1.0
|
CG
|
B:HIS178
|
4.1
|
42.2
|
1.0
|
OD1
|
B:ASP102
|
4.2
|
33.3
|
1.0
|
ND1
|
B:HIS81
|
4.3
|
25.4
|
1.0
|
NE2
|
B:HIS208
|
4.3
|
38.1
|
1.0
|
O
|
B:HOH1819
|
4.3
|
42.0
|
1.0
|
CG
|
B:HIS81
|
4.4
|
25.2
|
1.0
|
CE
|
B:MET100
|
4.4
|
31.2
|
1.0
|
CD2
|
B:HIS208
|
4.5
|
38.0
|
1.0
|
O
|
B:HOH1936
|
4.6
|
75.4
|
1.0
|
CG
|
B:ASP102
|
4.7
|
33.4
|
1.0
|
CB
|
B:GLU132
|
4.8
|
33.7
|
1.0
|
|
Cobalt binding site 4 out
of 5 in 1rv8
Go back to
Cobalt Binding Sites List in 1rv8
Cobalt binding site 4 out
of 5 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 Cobalt with other atoms in the Co 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
|
C:Co1707
b:35.0
occ:1.00
|
NE2
|
C:HIS178
|
2.1
|
42.7
|
1.0
|
OE2
|
C:GLU132
|
2.2
|
33.6
|
1.0
|
OE1
|
C:GLU132
|
2.3
|
33.9
|
1.0
|
O
|
C:HOH1729
|
2.3
|
25.0
|
1.0
|
NE2
|
C:HIS81
|
2.3
|
26.3
|
1.0
|
ND1
|
C:HIS208
|
2.4
|
43.4
|
1.0
|
CD
|
C:GLU132
|
2.6
|
33.6
|
1.0
|
CD2
|
C:HIS178
|
2.8
|
42.8
|
1.0
|
CE1
|
C:HIS208
|
3.2
|
43.4
|
1.0
|
CE1
|
C:HIS81
|
3.2
|
26.2
|
1.0
|
CE1
|
C:HIS178
|
3.3
|
42.8
|
1.0
|
CD2
|
C:HIS81
|
3.3
|
26.0
|
1.0
|
CG
|
C:HIS208
|
3.5
|
43.5
|
1.0
|
CB
|
C:HIS208
|
3.9
|
43.5
|
1.0
|
CG
|
C:HIS178
|
4.1
|
42.9
|
1.0
|
CG
|
C:GLU132
|
4.1
|
33.6
|
1.0
|
OD1
|
C:ASP102
|
4.2
|
30.5
|
1.0
|
ND1
|
C:HIS178
|
4.2
|
42.8
|
1.0
|
ND1
|
C:HIS81
|
4.4
|
26.0
|
1.0
|
NE2
|
C:HIS208
|
4.4
|
43.3
|
1.0
|
CG
|
C:HIS81
|
4.4
|
25.8
|
1.0
|
CD2
|
C:HIS208
|
4.6
|
43.4
|
1.0
|
CG
|
C:ASP102
|
4.7
|
30.6
|
1.0
|
CE
|
C:MET100
|
4.7
|
29.6
|
1.0
|
CB
|
C:GLU132
|
4.8
|
33.6
|
1.0
|
OD2
|
C:ASP102
|
4.9
|
30.7
|
1.0
|
|
Cobalt binding site 5 out
of 5 in 1rv8
Go back to
Cobalt Binding Sites List in 1rv8
Cobalt binding site 5 out
of 5 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 Cobalt with other atoms in the Co binding
site number 5 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:Co1705
b:27.7
occ:1.00
|
OE1
|
D:GLU132
|
2.2
|
27.4
|
1.0
|
NE2
|
D:HIS178
|
2.2
|
34.1
|
1.0
|
OE2
|
D:GLU132
|
2.3
|
27.9
|
1.0
|
NE2
|
D:HIS81
|
2.3
|
23.1
|
1.0
|
ND1
|
D:HIS208
|
2.3
|
33.7
|
1.0
|
O
|
D:HOH1751
|
2.4
|
28.5
|
1.0
|
CD
|
D:GLU132
|
2.5
|
27.7
|
1.0
|
CD2
|
D:HIS178
|
2.9
|
33.9
|
1.0
|
CE1
|
D:HIS208
|
3.0
|
33.7
|
1.0
|
CE1
|
D:HIS81
|
3.2
|
23.0
|
1.0
|
CD2
|
D:HIS81
|
3.3
|
23.2
|
1.0
|
CE1
|
D:HIS178
|
3.3
|
34.1
|
1.0
|
CG
|
D:HIS208
|
3.5
|
33.9
|
1.0
|
CB
|
D:HIS208
|
3.9
|
34.1
|
1.0
|
CG
|
D:GLU132
|
4.0
|
27.8
|
1.0
|
CG
|
D:HIS178
|
4.1
|
34.1
|
1.0
|
OD1
|
D:ASP102
|
4.1
|
26.7
|
1.0
|
NE2
|
D:HIS208
|
4.2
|
33.7
|
1.0
|
ND1
|
D:HIS178
|
4.3
|
34.1
|
1.0
|
ND1
|
D:HIS81
|
4.3
|
23.1
|
1.0
|
CG
|
D:HIS81
|
4.4
|
23.1
|
1.0
|
O
|
D:HOH1780
|
4.5
|
32.2
|
1.0
|
CD2
|
D:HIS208
|
4.5
|
33.7
|
1.0
|
O
|
D:HOH1830
|
4.5
|
45.0
|
1.0
|
CE
|
D:MET100
|
4.6
|
27.0
|
1.0
|
CG
|
D:ASP102
|
4.6
|
26.9
|
1.0
|
O
|
D:HOH1828
|
4.7
|
39.9
|
1.0
|
CB
|
D:GLU132
|
4.8
|
28.2
|
1.0
|
OD2
|
D:ASP102
|
4.9
|
26.9
|
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: Tue Jul 30 14:37:12 2024
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