Chlorine in PDB 2a9w: E. Coli Ts Complexed with Dump and Inhibitor GA9
Enzymatic activity of E. Coli Ts Complexed with Dump and Inhibitor GA9
All present enzymatic activity of E. Coli Ts Complexed with Dump and Inhibitor GA9:
2.1.1.45;
Protein crystallography data
The structure of E. Coli Ts Complexed with Dump and Inhibitor GA9, PDB code: 2a9w
was solved by
J.S.Finer-Moore,
A.C.Anderson,
R.H.O'neil,
M.P.Costi,
S.Ferrari,
J.Krucinski,
R.M.Stroud,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
29.50 /
1.65
|
|
Space group
|
H 3
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
186.600,
186.600,
114.200,
90.00,
90.00,
120.00
|
|
R / Rfree (%)
|
20.7 /
22.6
|
Other elements in 2a9w:
The structure of E. Coli Ts Complexed with Dump and Inhibitor GA9 also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the E. Coli Ts Complexed with Dump and Inhibitor GA9
(pdb code 2a9w). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the
E. Coli Ts Complexed with Dump and Inhibitor GA9, PDB code: 2a9w:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 2a9w
Go back to
Chlorine Binding Sites List in 2a9w
Chlorine binding site 1 out
of 8 in the E. Coli Ts Complexed with Dump and Inhibitor GA9
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of E. Coli Ts Complexed with Dump and Inhibitor GA9 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1320
b:54.1
occ:0.43
|
CL3
|
A:GA91320
|
0.0
|
54.1
|
0.4
|
|
CL3
|
A:GA91320
|
0.5
|
46.8
|
0.4
|
|
C5
|
A:GA91320
|
1.6
|
47.7
|
0.4
|
|
C5
|
A:GA91320
|
1.7
|
54.0
|
0.4
|
|
C4
|
A:GA91320
|
2.4
|
48.0
|
0.4
|
|
C4
|
A:GA91320
|
2.7
|
54.1
|
0.4
|
|
C6
|
A:GA91320
|
2.8
|
53.7
|
0.4
|
|
C6
|
A:GA91320
|
2.8
|
47.7
|
0.4
|
|
C7
|
A:GA91320
|
3.1
|
53.7
|
0.4
|
|
C7
|
A:GA91320
|
3.3
|
48.0
|
0.4
|
|
C3
|
A:GA91320
|
3.8
|
48.0
|
0.4
|
|
C4
|
A:UMP1277
|
3.8
|
59.5
|
0.4
|
|
O4
|
A:UMP1277
|
3.9
|
59.2
|
0.4
|
|
CA
|
A:GLY173
|
3.9
|
20.1
|
1.0
|
|
C3
|
A:GA91320
|
4.0
|
53.8
|
0.4
|
|
C11
|
A:GA91320
|
4.1
|
47.5
|
0.4
|
|
C5
|
A:UMP1277
|
4.1
|
59.7
|
0.4
|
|
C11
|
A:GA91320
|
4.1
|
53.2
|
0.4
|
|
CG
|
A:PHE176
|
4.2
|
21.3
|
1.0
|
|
N3
|
A:UMP1277
|
4.2
|
59.4
|
0.4
|
|
CB
|
A:PHE176
|
4.3
|
18.1
|
1.0
|
|
ND2
|
A:ASN177
|
4.3
|
22.8
|
0.4
|
|
O
|
A:GLY173
|
4.3
|
18.9
|
1.0
|
|
CD1
|
A:PHE176
|
4.4
|
22.2
|
1.0
|
|
O
|
A:HOH1940
|
4.4
|
66.9
|
1.0
|
|
C2
|
A:GA91320
|
4.4
|
47.6
|
0.4
|
|
C8
|
A:GA91320
|
4.5
|
53.9
|
0.4
|
|
O1
|
A:BME1815
|
4.5
|
33.4
|
0.6
|
|
C2
|
A:GA91320
|
4.6
|
53.3
|
0.4
|
|
C
|
A:GLY173
|
4.6
|
19.9
|
1.0
|
|
CD2
|
A:PHE176
|
4.6
|
23.4
|
1.0
|
|
C8
|
A:GA91320
|
4.7
|
48.3
|
0.4
|
|
C6
|
A:UMP1277
|
4.7
|
60.0
|
0.4
|
|
C2
|
A:UMP1277
|
4.9
|
59.8
|
0.4
|
|
OD1
|
A:ASN177
|
4.9
|
25.2
|
0.4
|
|
N
|
A:GLY173
|
4.9
|
22.5
|
1.0
|
|
CG
|
A:ASN177
|
4.9
|
21.1
|
0.4
|
|
CE1
|
A:PHE176
|
4.9
|
23.5
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 2a9w
Go back to
Chlorine Binding Sites List in 2a9w
Chlorine binding site 2 out
of 8 in the E. Coli Ts Complexed with Dump and Inhibitor GA9
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of E. Coli Ts Complexed with Dump and Inhibitor GA9 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1320
b:46.8
occ:0.44
|
CL3
|
A:GA91320
|
0.0
|
46.8
|
0.4
|
|
CL3
|
A:GA91320
|
0.5
|
54.1
|
0.4
|
|
C5
|
A:GA91320
|
1.7
|
47.7
|
0.4
|
|
C5
|
A:GA91320
|
1.9
|
54.0
|
0.4
|
|
C4
|
A:GA91320
|
2.7
|
48.0
|
0.4
|
|
C6
|
A:GA91320
|
2.8
|
53.7
|
0.4
|
|
C6
|
A:GA91320
|
2.8
|
47.7
|
0.4
|
|
C7
|
A:GA91320
|
2.9
|
53.7
|
0.4
|
|
C4
|
A:GA91320
|
3.0
|
54.1
|
0.4
|
|
C7
|
A:GA91320
|
3.1
|
48.0
|
0.4
|
|
CA
|
A:GLY173
|
3.6
|
20.1
|
1.0
|
|
CG
|
A:PHE176
|
3.8
|
21.3
|
1.0
|
|
CB
|
A:PHE176
|
3.8
|
18.1
|
1.0
|
|
O
|
A:GLY173
|
3.9
|
18.9
|
1.0
|
|
O4
|
A:UMP1277
|
4.0
|
59.2
|
0.4
|
|
C4
|
A:UMP1277
|
4.0
|
59.5
|
0.4
|
|
C3
|
A:GA91320
|
4.0
|
48.0
|
0.4
|
|
CD1
|
A:PHE176
|
4.1
|
22.2
|
1.0
|
|
C11
|
A:GA91320
|
4.1
|
47.5
|
0.4
|
|
C11
|
A:GA91320
|
4.1
|
53.2
|
0.4
|
|
ND2
|
A:ASN177
|
4.1
|
22.8
|
0.4
|
|
C8
|
A:GA91320
|
4.2
|
53.9
|
0.4
|
|
C3
|
A:GA91320
|
4.3
|
53.8
|
0.4
|
|
C
|
A:GLY173
|
4.3
|
19.9
|
1.0
|
|
CD2
|
A:PHE176
|
4.3
|
23.4
|
1.0
|
|
N3
|
A:UMP1277
|
4.3
|
59.4
|
0.4
|
|
O
|
A:HOH1940
|
4.4
|
66.9
|
1.0
|
|
C5
|
A:UMP1277
|
4.4
|
59.7
|
0.4
|
|
C8
|
A:GA91320
|
4.5
|
48.3
|
0.4
|
|
C2
|
A:GA91320
|
4.6
|
47.6
|
0.4
|
|
O1
|
A:BME1815
|
4.6
|
33.4
|
0.6
|
|
N
|
A:GLY173
|
4.7
|
22.5
|
1.0
|
|
CE1
|
A:PHE176
|
4.7
|
23.5
|
1.0
|
|
CG
|
A:ASN177
|
4.7
|
21.1
|
0.4
|
|
OD1
|
A:ASN177
|
4.7
|
25.2
|
0.4
|
|
C2
|
A:GA91320
|
4.7
|
53.3
|
0.4
|
|
O
|
A:LEU172
|
4.8
|
25.0
|
1.0
|
|
CE2
|
A:PHE176
|
4.9
|
24.9
|
1.0
|
|
C2
|
A:UMP1277
|
5.0
|
59.8
|
0.4
|
|
Chlorine binding site 3 out
of 8 in 2a9w
Go back to
Chlorine Binding Sites List in 2a9w
Chlorine binding site 3 out
of 8 in the E. Coli Ts Complexed with Dump and Inhibitor GA9
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of E. Coli Ts Complexed with Dump and Inhibitor GA9 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1321
b:53.3
occ:0.42
|
CL3
|
B:GA91321
|
0.0
|
53.3
|
0.4
|
|
CL3
|
B:GA91321
|
0.2
|
45.1
|
0.5
|
|
C5
|
B:GA91321
|
1.7
|
53.0
|
0.4
|
|
C5
|
B:GA91321
|
1.7
|
45.8
|
0.5
|
|
C4
|
B:GA91321
|
2.7
|
46.0
|
0.5
|
|
C4
|
B:GA91321
|
2.7
|
53.1
|
0.4
|
|
C6
|
B:GA91321
|
2.8
|
52.7
|
0.4
|
|
C6
|
B:GA91321
|
2.8
|
45.7
|
0.5
|
|
C7
|
B:GA91321
|
3.1
|
52.5
|
0.4
|
|
C7
|
B:GA91321
|
3.2
|
45.7
|
0.5
|
|
C4
|
B:UMP1278
|
3.8
|
59.0
|
0.4
|
|
O4
|
B:UMP1278
|
3.8
|
58.7
|
0.4
|
|
CA
|
B:GLY173
|
3.8
|
21.5
|
1.0
|
|
C3
|
B:GA91321
|
4.0
|
45.9
|
0.5
|
|
C3
|
B:GA91321
|
4.0
|
52.8
|
0.4
|
|
C5
|
B:UMP1278
|
4.0
|
59.3
|
0.4
|
|
C11
|
B:GA91321
|
4.1
|
52.0
|
0.4
|
|
C11
|
B:GA91321
|
4.1
|
45.3
|
0.5
|
|
CG
|
B:PHE176
|
4.2
|
23.5
|
1.0
|
|
N3
|
B:UMP1278
|
4.2
|
58.9
|
0.4
|
|
ND2
|
B:ASN177
|
4.3
|
23.3
|
0.4
|
|
CB
|
B:PHE176
|
4.3
|
19.6
|
1.0
|
|
O
|
B:GLY173
|
4.3
|
19.7
|
1.0
|
|
CD1
|
B:PHE176
|
4.3
|
23.9
|
1.0
|
|
C8
|
B:GA91321
|
4.5
|
52.7
|
0.4
|
|
C8
|
B:GA91321
|
4.5
|
46.1
|
0.5
|
|
C
|
B:GLY173
|
4.6
|
20.8
|
1.0
|
|
C2
|
B:GA91321
|
4.6
|
45.3
|
0.5
|
|
C2
|
B:GA91321
|
4.6
|
52.2
|
0.4
|
|
CD2
|
B:PHE176
|
4.6
|
24.4
|
1.0
|
|
C6
|
B:UMP1278
|
4.7
|
59.4
|
0.4
|
|
N
|
B:GLY173
|
4.8
|
22.4
|
1.0
|
|
C2
|
B:UMP1278
|
4.8
|
58.9
|
0.4
|
|
CE1
|
B:PHE176
|
4.9
|
24.8
|
1.0
|
|
CG
|
B:ASN177
|
4.9
|
22.2
|
0.4
|
|
OD1
|
B:ASN177
|
5.0
|
25.4
|
0.4
|
|
Chlorine binding site 4 out
of 8 in 2a9w
Go back to
Chlorine Binding Sites List in 2a9w
Chlorine binding site 4 out
of 8 in the E. Coli Ts Complexed with Dump and Inhibitor GA9
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of E. Coli Ts Complexed with Dump and Inhibitor GA9 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1321
b:45.1
occ:0.46
|
CL3
|
B:GA91321
|
0.0
|
45.1
|
0.5
|
|
CL3
|
B:GA91321
|
0.2
|
53.3
|
0.4
|
|
C5
|
B:GA91321
|
1.7
|
45.8
|
0.5
|
|
C5
|
B:GA91321
|
1.7
|
53.0
|
0.4
|
|
C4
|
B:GA91321
|
2.7
|
46.0
|
0.5
|
|
C6
|
B:GA91321
|
2.7
|
52.7
|
0.4
|
|
C6
|
B:GA91321
|
2.8
|
45.7
|
0.5
|
|
C4
|
B:GA91321
|
2.8
|
53.1
|
0.4
|
|
C7
|
B:GA91321
|
3.0
|
52.5
|
0.4
|
|
C7
|
B:GA91321
|
3.1
|
45.7
|
0.5
|
|
CA
|
B:GLY173
|
3.8
|
21.5
|
1.0
|
|
O4
|
B:UMP1278
|
3.9
|
58.7
|
0.4
|
|
C4
|
B:UMP1278
|
3.9
|
59.0
|
0.4
|
|
C3
|
B:GA91321
|
4.0
|
45.9
|
0.5
|
|
CG
|
B:PHE176
|
4.0
|
23.5
|
1.0
|
|
C3
|
B:GA91321
|
4.0
|
52.8
|
0.4
|
|
C11
|
B:GA91321
|
4.1
|
52.0
|
0.4
|
|
C11
|
B:GA91321
|
4.1
|
45.3
|
0.5
|
|
CB
|
B:PHE176
|
4.1
|
19.6
|
1.0
|
|
C5
|
B:UMP1278
|
4.2
|
59.3
|
0.4
|
|
CD1
|
B:PHE176
|
4.2
|
23.9
|
1.0
|
|
ND2
|
B:ASN177
|
4.2
|
23.3
|
0.4
|
|
O
|
B:GLY173
|
4.2
|
19.7
|
1.0
|
|
N3
|
B:UMP1278
|
4.3
|
58.9
|
0.4
|
|
C8
|
B:GA91321
|
4.4
|
52.7
|
0.4
|
|
C8
|
B:GA91321
|
4.5
|
46.1
|
0.5
|
|
CD2
|
B:PHE176
|
4.5
|
24.4
|
1.0
|
|
C
|
B:GLY173
|
4.5
|
20.8
|
1.0
|
|
C2
|
B:GA91321
|
4.6
|
45.3
|
0.5
|
|
C2
|
B:GA91321
|
4.6
|
52.2
|
0.4
|
|
CE1
|
B:PHE176
|
4.8
|
24.8
|
1.0
|
|
N
|
B:GLY173
|
4.8
|
22.4
|
1.0
|
|
C6
|
B:UMP1278
|
4.9
|
59.4
|
0.4
|
|
CG
|
B:ASN177
|
4.9
|
22.2
|
0.4
|
|
O
|
B:LEU172
|
4.9
|
24.8
|
1.0
|
|
C2
|
B:UMP1278
|
5.0
|
58.9
|
0.4
|
|
OD1
|
B:ASN177
|
5.0
|
25.4
|
0.4
|
|
Chlorine binding site 5 out
of 8 in 2a9w
Go back to
Chlorine Binding Sites List in 2a9w
Chlorine binding site 5 out
of 8 in the E. Coli Ts Complexed with Dump and Inhibitor GA9
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of E. Coli Ts Complexed with Dump and Inhibitor GA9 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1318
b:58.3
occ:0.41
|
CL3
|
C:GA91318
|
0.0
|
58.3
|
0.4
|
|
CL3
|
C:GA91318
|
0.9
|
41.7
|
0.5
|
|
C5
|
C:GA91318
|
1.7
|
57.0
|
0.4
|
|
C5
|
C:GA91318
|
1.7
|
43.5
|
0.5
|
|
C4
|
C:GA91318
|
2.4
|
43.4
|
0.5
|
|
C4
|
C:GA91318
|
2.7
|
57.0
|
0.4
|
|
C6
|
C:GA91318
|
2.8
|
56.4
|
0.4
|
|
C6
|
C:GA91318
|
3.0
|
43.9
|
0.5
|
|
C7
|
C:GA91318
|
3.1
|
56.2
|
0.4
|
|
C7
|
C:GA91318
|
3.5
|
44.3
|
0.5
|
|
C4
|
C:UMP1279
|
3.6
|
60.5
|
0.4
|
|
C3
|
C:GA91318
|
3.7
|
43.9
|
0.5
|
|
C5
|
C:UMP1279
|
3.7
|
60.7
|
0.4
|
|
O4
|
C:UMP1279
|
3.8
|
60.6
|
0.4
|
|
CA
|
C:GLY173
|
4.0
|
22.1
|
1.0
|
|
C3
|
C:GA91318
|
4.0
|
56.4
|
0.4
|
|
N3
|
C:UMP1279
|
4.0
|
60.8
|
0.4
|
|
C11
|
C:GA91318
|
4.1
|
55.5
|
0.4
|
|
C11
|
C:GA91318
|
4.2
|
43.8
|
0.5
|
|
C6
|
C:UMP1279
|
4.3
|
60.7
|
0.4
|
|
O1
|
C:BME1816
|
4.4
|
36.2
|
0.6
|
|
ND2
|
C:ASN177
|
4.4
|
24.4
|
0.4
|
|
C8
|
C:GA91318
|
4.5
|
56.0
|
0.4
|
|
C2
|
C:GA91318
|
4.5
|
43.8
|
0.5
|
|
C2
|
C:GA91318
|
4.6
|
55.7
|
0.4
|
|
C2
|
C:UMP1279
|
4.6
|
60.7
|
0.4
|
|
O
|
C:GLY173
|
4.6
|
20.1
|
1.0
|
|
CG
|
C:PHE176
|
4.6
|
23.6
|
1.0
|
|
N1
|
C:UMP1279
|
4.7
|
60.8
|
0.4
|
|
CB
|
C:PHE176
|
4.7
|
18.8
|
1.0
|
|
CD1
|
C:PHE176
|
4.8
|
23.6
|
1.0
|
|
C
|
C:GLY173
|
4.8
|
20.7
|
1.0
|
|
C8
|
C:GA91318
|
4.9
|
44.6
|
0.5
|
|
N
|
C:GLY173
|
4.9
|
23.0
|
1.0
|
|
Chlorine binding site 6 out
of 8 in 2a9w
Go back to
Chlorine Binding Sites List in 2a9w
Chlorine binding site 6 out
of 8 in the E. Coli Ts Complexed with Dump and Inhibitor GA9
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of E. Coli Ts Complexed with Dump and Inhibitor GA9 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1318
b:41.7
occ:0.45
|
CL3
|
C:GA91318
|
0.0
|
41.7
|
0.5
|
|
CL3
|
C:GA91318
|
0.9
|
58.3
|
0.4
|
|
C5
|
C:GA91318
|
1.7
|
43.5
|
0.5
|
|
C5
|
C:GA91318
|
2.1
|
57.0
|
0.4
|
|
C4
|
C:GA91318
|
2.7
|
43.4
|
0.5
|
|
C6
|
C:GA91318
|
2.8
|
56.4
|
0.4
|
|
C6
|
C:GA91318
|
2.8
|
43.9
|
0.5
|
|
C7
|
C:GA91318
|
2.8
|
56.2
|
0.4
|
|
C7
|
C:GA91318
|
3.1
|
44.3
|
0.5
|
|
C4
|
C:GA91318
|
3.2
|
57.0
|
0.4
|
|
CG
|
C:PHE176
|
3.7
|
23.6
|
1.0
|
|
CA
|
C:GLY173
|
3.8
|
22.1
|
1.0
|
|
CB
|
C:PHE176
|
3.8
|
18.8
|
1.0
|
|
CD1
|
C:PHE176
|
4.0
|
23.6
|
1.0
|
|
O4
|
C:UMP1279
|
4.0
|
60.6
|
0.4
|
|
ND2
|
C:ASN177
|
4.0
|
24.4
|
0.4
|
|
C3
|
C:GA91318
|
4.0
|
43.9
|
0.5
|
|
C4
|
C:UMP1279
|
4.0
|
60.5
|
0.4
|
|
O
|
C:GLY173
|
4.1
|
20.1
|
1.0
|
|
C11
|
C:GA91318
|
4.1
|
43.8
|
0.5
|
|
C8
|
C:GA91318
|
4.1
|
56.0
|
0.4
|
|
C11
|
C:GA91318
|
4.1
|
55.5
|
0.4
|
|
CD2
|
C:PHE176
|
4.2
|
24.6
|
1.0
|
|
C3
|
C:GA91318
|
4.4
|
56.4
|
0.4
|
|
N3
|
C:UMP1279
|
4.4
|
60.8
|
0.4
|
|
C5
|
C:UMP1279
|
4.4
|
60.7
|
0.4
|
|
C
|
C:GLY173
|
4.4
|
20.7
|
1.0
|
|
C8
|
C:GA91318
|
4.5
|
44.6
|
0.5
|
|
CE1
|
C:PHE176
|
4.6
|
25.1
|
1.0
|
|
C2
|
C:GA91318
|
4.6
|
43.8
|
0.5
|
|
CE2
|
C:PHE176
|
4.8
|
27.5
|
1.0
|
|
CG
|
C:ASN177
|
4.8
|
21.9
|
0.4
|
|
C2
|
C:GA91318
|
4.8
|
55.7
|
0.4
|
|
O1
|
C:BME1816
|
4.8
|
36.2
|
0.6
|
|
N
|
C:GLY173
|
4.8
|
23.0
|
1.0
|
|
O
|
C:HOH1942
|
4.8
|
44.7
|
0.5
|
|
O
|
C:LEU172
|
4.8
|
24.6
|
1.0
|
|
CZ
|
C:PHE176
|
4.9
|
28.3
|
1.0
|
|
OD1
|
C:ASN177
|
4.9
|
25.9
|
0.4
|
|
Chlorine binding site 7 out
of 8 in 2a9w
Go back to
Chlorine Binding Sites List in 2a9w
Chlorine binding site 7 out
of 8 in the E. Coli Ts Complexed with Dump and Inhibitor GA9
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of E. Coli Ts Complexed with Dump and Inhibitor GA9 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1319
b:54.4
occ:0.42
|
CL3
|
D:GA91319
|
0.0
|
54.4
|
0.4
|
|
CL3
|
D:GA91319
|
0.3
|
49.0
|
0.5
|
|
C5
|
D:GA91319
|
1.7
|
49.0
|
0.5
|
|
C5
|
D:GA91319
|
1.7
|
53.9
|
0.4
|
|
C4
|
D:GA91319
|
2.6
|
49.1
|
0.5
|
|
C4
|
D:GA91319
|
2.7
|
54.0
|
0.4
|
|
C6
|
D:GA91319
|
2.8
|
53.6
|
0.4
|
|
C6
|
D:GA91319
|
2.8
|
48.8
|
0.5
|
|
C7
|
D:GA91319
|
3.1
|
53.6
|
0.4
|
|
C7
|
D:GA91319
|
3.2
|
49.0
|
0.5
|
|
CA
|
D:GLY173
|
3.8
|
21.9
|
1.0
|
|
C4
|
D:UMP1280
|
3.8
|
58.2
|
0.5
|
|
O4
|
D:UMP1280
|
3.9
|
58.0
|
0.5
|
|
C3
|
D:GA91319
|
3.9
|
49.0
|
0.5
|
|
ND2
|
D:ASN177
|
4.0
|
25.3
|
0.5
|
|
C3
|
D:GA91319
|
4.0
|
53.7
|
0.4
|
|
C11
|
D:GA91319
|
4.1
|
52.9
|
0.4
|
|
C11
|
D:GA91319
|
4.1
|
48.3
|
0.5
|
|
C5
|
D:UMP1280
|
4.1
|
58.5
|
0.5
|
|
N3
|
D:UMP1280
|
4.2
|
58.2
|
0.5
|
|
CG
|
D:PHE176
|
4.2
|
23.5
|
1.0
|
|
O
|
D:GLY173
|
4.2
|
19.6
|
1.0
|
|
CB
|
D:PHE176
|
4.3
|
20.2
|
1.0
|
|
CD1
|
D:PHE176
|
4.4
|
23.0
|
1.0
|
|
C8
|
D:GA91319
|
4.5
|
53.6
|
0.4
|
|
C
|
D:GLY173
|
4.5
|
21.1
|
1.0
|
|
C2
|
D:GA91319
|
4.5
|
48.4
|
0.5
|
|
C2
|
D:GA91319
|
4.6
|
53.1
|
0.4
|
|
CD2
|
D:PHE176
|
4.6
|
25.4
|
1.0
|
|
C8
|
D:GA91319
|
4.6
|
49.0
|
0.5
|
|
C6
|
D:UMP1280
|
4.7
|
58.8
|
0.5
|
|
C2
|
D:UMP1280
|
4.8
|
58.5
|
0.5
|
|
N
|
D:GLY173
|
4.8
|
23.3
|
1.0
|
|
CG
|
D:ASN177
|
4.8
|
23.5
|
0.5
|
|
OD1
|
D:ASN177
|
4.9
|
26.1
|
0.5
|
|
CE1
|
D:PHE176
|
5.0
|
25.2
|
1.0
|
|
O
|
D:LEU172
|
5.0
|
25.8
|
1.0
|
|
N1
|
D:UMP1280
|
5.0
|
58.9
|
0.5
|
|
Chlorine binding site 8 out
of 8 in 2a9w
Go back to
Chlorine Binding Sites List in 2a9w
Chlorine binding site 8 out
of 8 in the E. Coli Ts Complexed with Dump and Inhibitor GA9
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of E. Coli Ts Complexed with Dump and Inhibitor GA9 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1319
b:49.0
occ:0.47
|
CL3
|
D:GA91319
|
0.0
|
49.0
|
0.5
|
|
CL3
|
D:GA91319
|
0.3
|
54.4
|
0.4
|
|
C5
|
D:GA91319
|
1.7
|
49.0
|
0.5
|
|
C5
|
D:GA91319
|
1.8
|
53.9
|
0.4
|
|
C4
|
D:GA91319
|
2.7
|
49.1
|
0.5
|
|
C6
|
D:GA91319
|
2.7
|
53.6
|
0.4
|
|
C6
|
D:GA91319
|
2.8
|
48.8
|
0.5
|
|
C4
|
D:GA91319
|
2.8
|
54.0
|
0.4
|
|
C7
|
D:GA91319
|
3.0
|
53.6
|
0.4
|
|
C7
|
D:GA91319
|
3.1
|
49.0
|
0.5
|
|
CA
|
D:GLY173
|
3.7
|
21.9
|
1.0
|
|
ND2
|
D:ASN177
|
3.9
|
25.3
|
0.5
|
|
C4
|
D:UMP1280
|
4.0
|
58.2
|
0.5
|
|
CG
|
D:PHE176
|
4.0
|
23.5
|
1.0
|
|
O4
|
D:UMP1280
|
4.0
|
58.0
|
0.5
|
|
C3
|
D:GA91319
|
4.0
|
49.0
|
0.5
|
|
CB
|
D:PHE176
|
4.0
|
20.2
|
1.0
|
|
O
|
D:GLY173
|
4.1
|
19.6
|
1.0
|
|
C11
|
D:GA91319
|
4.1
|
52.9
|
0.4
|
|
C11
|
D:GA91319
|
4.1
|
48.3
|
0.5
|
|
C3
|
D:GA91319
|
4.1
|
53.7
|
0.4
|
|
CD1
|
D:PHE176
|
4.2
|
23.0
|
1.0
|
|
N3
|
D:UMP1280
|
4.3
|
58.2
|
0.5
|
|
C8
|
D:GA91319
|
4.3
|
53.6
|
0.4
|
|
C5
|
D:UMP1280
|
4.3
|
58.5
|
0.5
|
|
C
|
D:GLY173
|
4.4
|
21.1
|
1.0
|
|
CD2
|
D:PHE176
|
4.4
|
25.4
|
1.0
|
|
C8
|
D:GA91319
|
4.5
|
49.0
|
0.5
|
|
C2
|
D:GA91319
|
4.6
|
48.4
|
0.5
|
|
C2
|
D:GA91319
|
4.6
|
53.1
|
0.4
|
|
N
|
D:GLY173
|
4.8
|
23.3
|
1.0
|
|
CG
|
D:ASN177
|
4.8
|
23.5
|
0.5
|
|
CE1
|
D:PHE176
|
4.8
|
25.2
|
1.0
|
|
O
|
D:LEU172
|
4.8
|
25.8
|
1.0
|
|
OD1
|
D:ASN177
|
4.9
|
26.1
|
0.5
|
|
C2
|
D:UMP1280
|
4.9
|
58.5
|
0.5
|
|
C6
|
D:UMP1280
|
5.0
|
58.8
|
0.5
|
|
CE2
|
D:PHE176
|
5.0
|
27.3
|
1.0
|
|
Reference:
J.S.Finer-Moore,
A.C.Anderson,
R.H.O'neil,
M.P.Costi,
S.Ferrari,
J.Krucinski,
R.M.Stroud.
The Structure of Cryptococcus Neoformans Thymidylate Synthase Suggests Strategies For Using Target Dynamics For Species-Specific Inhibition. Acta Crystallogr.,Sect.D V. 61 1320 2005.
ISSN: ISSN 0907-4449
PubMed: 16204883
DOI: 10.1107/S0907444905022638
Page generated: Sat Dec 12 08:58:31 2020
|
