Chlorine in PDB 5f2l: Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Competitive Inhibitor Talitol-1,6-Bisphosphate
Enzymatic activity of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Competitive Inhibitor Talitol-1,6-Bisphosphate
All present enzymatic activity of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Competitive Inhibitor Talitol-1,6-Bisphosphate:
4.1.2.40;
Protein crystallography data
The structure of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Competitive Inhibitor Talitol-1,6-Bisphosphate, PDB code: 5f2l
was solved by
C.Lowkam,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
45.19 /
1.76
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
63.966,
108.029,
237.423,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
16.3 /
18.9
|
Other elements in 5f2l:
The structure of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Competitive Inhibitor Talitol-1,6-Bisphosphate also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Competitive Inhibitor Talitol-1,6-Bisphosphate
(pdb code 5f2l). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the
Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Competitive Inhibitor Talitol-1,6-Bisphosphate, PDB code: 5f2l:
Jump to Chlorine binding site number:
1;
2;
3;
Chlorine binding site 1 out
of 3 in 5f2l
Go back to
Chlorine Binding Sites List in 5f2l
Chlorine binding site 1 out
of 3 in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Competitive Inhibitor Talitol-1,6-Bisphosphate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Competitive Inhibitor Talitol-1,6-Bisphosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl404
b:75.9
occ:1.00
|
H
|
C:ARG29
|
2.2
|
83.8
|
1.0
|
O
|
C:HOH754
|
2.4
|
53.3
|
1.0
|
H
|
C:ALA31
|
2.5
|
93.9
|
1.0
|
HB2
|
C:ALA31
|
3.1
|
91.5
|
1.0
|
N
|
C:ARG29
|
3.1
|
69.8
|
1.0
|
HA
|
C:GLN28
|
3.2
|
78.2
|
1.0
|
H
|
C:GLY30
|
3.2
|
94.0
|
1.0
|
HB3
|
C:ALA31
|
3.3
|
91.5
|
1.0
|
N
|
C:ALA31
|
3.3
|
78.3
|
1.0
|
HB2
|
C:ARG29
|
3.5
|
89.7
|
1.0
|
HG21
|
C:THR94
|
3.5
|
70.5
|
1.0
|
N
|
C:GLY30
|
3.6
|
78.3
|
1.0
|
CB
|
C:ALA31
|
3.6
|
76.2
|
1.0
|
HB
|
C:THR94
|
3.7
|
55.5
|
1.0
|
CA
|
C:GLN28
|
3.9
|
65.1
|
1.0
|
CA
|
C:ARG29
|
3.9
|
72.0
|
1.0
|
C
|
C:ARG29
|
4.0
|
74.6
|
1.0
|
C
|
C:GLN28
|
4.0
|
66.4
|
1.0
|
HB3
|
C:GLN28
|
4.0
|
77.8
|
1.0
|
HG3
|
C:GLN28
|
4.0
|
78.5
|
1.0
|
CA
|
C:ALA31
|
4.1
|
77.9
|
1.0
|
CG2
|
C:THR94
|
4.2
|
58.8
|
1.0
|
HG22
|
C:THR94
|
4.2
|
70.5
|
1.0
|
CB
|
C:ARG29
|
4.2
|
74.8
|
1.0
|
C
|
C:GLY30
|
4.3
|
80.1
|
1.0
|
CA
|
C:GLY30
|
4.3
|
81.4
|
1.0
|
HA3
|
C:GLY30
|
4.3
|
97.7
|
1.0
|
H
|
C:LEU32
|
4.3
|
89.0
|
1.0
|
CB
|
C:THR94
|
4.4
|
46.3
|
1.0
|
CB
|
C:GLN28
|
4.4
|
64.8
|
1.0
|
HB1
|
C:ALA31
|
4.4
|
91.5
|
1.0
|
CG
|
C:GLN28
|
4.7
|
65.4
|
1.0
|
HA
|
C:ALA31
|
4.7
|
93.5
|
1.0
|
HE
|
C:ARG29
|
4.8
|
88.6
|
1.0
|
HB3
|
C:ARG29
|
4.8
|
89.7
|
1.0
|
HA
|
C:ARG29
|
4.8
|
86.4
|
1.0
|
O
|
C:ARG29
|
4.9
|
73.8
|
1.0
|
OG1
|
C:THR94
|
4.9
|
43.8
|
1.0
|
N
|
C:LEU32
|
5.0
|
74.1
|
1.0
|
HG2
|
C:GLN28
|
5.0
|
78.5
|
1.0
|
|
Chlorine binding site 2 out
of 3 in 5f2l
Go back to
Chlorine Binding Sites List in 5f2l
Chlorine binding site 2 out
of 3 in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Competitive Inhibitor Talitol-1,6-Bisphosphate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Competitive Inhibitor Talitol-1,6-Bisphosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl403
b:32.5
occ:0.35
|
H
|
B:ALA31
|
1.8
|
59.7
|
1.0
|
H
|
B:GLY30
|
2.6
|
52.5
|
1.0
|
N
|
B:ALA31
|
2.6
|
49.7
|
1.0
|
N
|
B:GLY30
|
2.9
|
43.8
|
1.0
|
HB2
|
B:ALA31
|
3.0
|
58.6
|
1.0
|
HA3
|
B:GLY30
|
3.1
|
57.5
|
1.0
|
CA
|
B:GLY30
|
3.3
|
47.9
|
1.0
|
HB3
|
B:ALA31
|
3.3
|
58.6
|
1.0
|
C
|
B:GLY30
|
3.4
|
49.3
|
1.0
|
HB
|
B:THR94
|
3.4
|
42.8
|
1.0
|
CB
|
B:ALA31
|
3.4
|
48.9
|
1.0
|
HG21
|
B:THR94
|
3.5
|
44.9
|
1.0
|
CA
|
B:ALA31
|
3.6
|
50.5
|
1.0
|
C
|
B:ARG29
|
3.6
|
39.8
|
1.0
|
N
|
B:ARG29
|
3.6
|
33.0
|
1.0
|
HG1
|
B:THR94
|
3.7
|
46.3
|
1.0
|
HB2
|
B:ARG29
|
3.7
|
39.9
|
1.0
|
O
|
B:HOH819
|
3.8
|
49.8
|
1.0
|
HH22
|
B:ARG34
|
3.8
|
75.3
|
1.0
|
CA
|
B:ARG29
|
4.0
|
35.1
|
1.0
|
CB
|
B:THR94
|
4.0
|
35.7
|
1.0
|
HA
|
B:ALA31
|
4.0
|
60.6
|
1.0
|
O
|
B:HOH525
|
4.0
|
44.1
|
1.0
|
CG2
|
B:THR94
|
4.1
|
37.4
|
1.0
|
HA2
|
B:GLY30
|
4.2
|
57.5
|
1.0
|
OG1
|
B:THR94
|
4.2
|
38.6
|
1.0
|
HH12
|
B:ARG34
|
4.2
|
76.3
|
1.0
|
H
|
B:LEU32
|
4.3
|
58.2
|
1.0
|
CB
|
B:ARG29
|
4.3
|
33.2
|
1.0
|
HG22
|
B:THR94
|
4.4
|
44.9
|
1.0
|
HB1
|
B:ALA31
|
4.4
|
58.6
|
1.0
|
NH2
|
B:ARG34
|
4.4
|
62.7
|
1.0
|
HA
|
B:GLN28
|
4.4
|
37.1
|
1.0
|
O
|
B:ARG29
|
4.4
|
40.9
|
1.0
|
O
|
B:GLY30
|
4.5
|
51.2
|
1.0
|
HB3
|
B:GLN28
|
4.7
|
40.6
|
1.0
|
HB3
|
B:ARG29
|
4.7
|
39.9
|
1.0
|
C
|
B:GLN28
|
4.7
|
31.4
|
1.0
|
NH1
|
B:ARG34
|
4.8
|
63.6
|
1.0
|
C
|
B:ALA31
|
4.8
|
50.1
|
1.0
|
HH21
|
B:ARG34
|
4.8
|
75.3
|
1.0
|
N
|
B:LEU32
|
4.9
|
48.5
|
1.0
|
CZ
|
B:ARG34
|
4.9
|
64.2
|
1.0
|
HA
|
B:ARG29
|
4.9
|
42.1
|
1.0
|
HG23
|
B:THR94
|
5.0
|
44.9
|
1.0
|
CA
|
B:GLN28
|
5.0
|
30.9
|
1.0
|
|
Chlorine binding site 3 out
of 3 in 5f2l
Go back to
Chlorine Binding Sites List in 5f2l
Chlorine binding site 3 out
of 3 in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Competitive Inhibitor Talitol-1,6-Bisphosphate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Competitive Inhibitor Talitol-1,6-Bisphosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl402
b:73.1
occ:1.00
|
H
|
D:ARG29
|
2.2
|
84.9
|
1.0
|
O
|
D:HOH735
|
2.5
|
52.2
|
1.0
|
H
|
D:ALA31
|
2.5
|
0.8
|
1.0
|
HB3
|
D:ALA31
|
3.0
|
96.3
|
1.0
|
HB2
|
D:ALA31
|
3.0
|
96.3
|
1.0
|
N
|
D:ARG29
|
3.1
|
70.7
|
1.0
|
HA
|
D:GLN28
|
3.1
|
78.1
|
1.0
|
N
|
D:ALA31
|
3.4
|
86.5
|
1.0
|
H
|
D:GLY30
|
3.4
|
96.4
|
1.0
|
HG21
|
D:THR94
|
3.4
|
67.0
|
1.0
|
CB
|
D:ALA31
|
3.4
|
80.2
|
1.0
|
HB2
|
D:ARG29
|
3.6
|
89.8
|
1.0
|
N
|
D:GLY30
|
3.7
|
80.3
|
1.0
|
HB
|
D:THR94
|
3.8
|
60.2
|
1.0
|
HG3
|
D:GLN28
|
3.8
|
79.9
|
1.0
|
CA
|
D:GLN28
|
3.9
|
65.0
|
1.0
|
CA
|
D:ARG29
|
3.9
|
74.2
|
1.0
|
C
|
D:GLN28
|
3.9
|
67.5
|
1.0
|
C
|
D:ARG29
|
4.0
|
77.5
|
1.0
|
CA
|
D:ALA31
|
4.0
|
85.4
|
1.0
|
HB3
|
D:GLN28
|
4.0
|
78.6
|
1.0
|
CG2
|
D:THR94
|
4.1
|
55.8
|
1.0
|
HG22
|
D:THR94
|
4.2
|
67.0
|
1.0
|
HB1
|
D:ALA31
|
4.3
|
96.3
|
1.0
|
CB
|
D:ARG29
|
4.3
|
74.8
|
1.0
|
CB
|
D:GLN28
|
4.3
|
65.5
|
1.0
|
H
|
D:LEU32
|
4.3
|
0.5
|
1.0
|
C
|
D:GLY30
|
4.4
|
86.5
|
1.0
|
CB
|
D:THR94
|
4.4
|
50.2
|
1.0
|
CA
|
D:GLY30
|
4.4
|
84.8
|
1.0
|
HA3
|
D:GLY30
|
4.4
|
0.7
|
1.0
|
CG
|
D:GLN28
|
4.5
|
66.6
|
1.0
|
HH22
|
D:ARG34
|
4.5
|
0.5
|
1.0
|
HE
|
D:ARG29
|
4.6
|
83.2
|
1.0
|
HA
|
D:ALA31
|
4.6
|
0.4
|
1.0
|
HG2
|
D:GLN28
|
4.8
|
79.9
|
1.0
|
HA
|
D:ARG29
|
4.8
|
89.0
|
1.0
|
O
|
D:ARG29
|
4.8
|
78.0
|
1.0
|
OG1
|
D:THR94
|
4.8
|
48.9
|
1.0
|
HB3
|
D:ARG29
|
4.9
|
89.8
|
1.0
|
HG23
|
D:THR94
|
5.0
|
67.0
|
1.0
|
O
|
D:ASP27
|
5.0
|
52.3
|
1.0
|
N
|
D:LEU32
|
5.0
|
83.7
|
1.0
|
|
Reference:
C.Lowkam,
B.Liotard,
J.Sygusch.
Non-Stereospecific Substrate Cleavage By Tagatose-Bisphosphate Class I Aldolase To Be Published.
Page generated: Fri Jul 26 07:37:19 2024
|