Zinc in PDB 6zyr: Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B
Enzymatic activity of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B
All present enzymatic activity of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B:
3.5.2.6;
Protein crystallography data
The structure of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B, PDB code: 6zyr
was solved by
P.Hinchliffe,
J.Spencer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
66.96 /
1.87
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
48.555,
78.003,
261.107,
90,
90,
90
|
R / Rfree (%)
|
18.3 /
21.9
|
Other elements in 6zyr:
The structure of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B
(pdb code 6zyr). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B, PDB code: 6zyr:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 6zyr
Go back to
Zinc Binding Sites List in 6zyr
Zinc binding site 1 out
of 8 in the Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn301
b:28.2
occ:1.00
|
ND1
|
A:HIS79
|
2.1
|
27.9
|
1.0
|
NE2
|
A:HIS139
|
2.1
|
30.3
|
1.0
|
NE2
|
A:HIS77
|
2.1
|
22.9
|
1.0
|
S01
|
A:QT2303
|
2.4
|
32.0
|
1.0
|
CD2
|
A:HIS77
|
3.0
|
24.1
|
1.0
|
CD2
|
A:HIS139
|
3.0
|
27.9
|
1.0
|
CG
|
A:HIS79
|
3.0
|
29.4
|
1.0
|
CE1
|
A:HIS79
|
3.1
|
27.6
|
1.0
|
CE1
|
A:HIS139
|
3.2
|
31.1
|
1.0
|
C02
|
A:QT2303
|
3.2
|
37.6
|
1.0
|
CE1
|
A:HIS77
|
3.3
|
24.1
|
1.0
|
CB
|
A:HIS79
|
3.4
|
26.6
|
1.0
|
ZN
|
A:ZN302
|
3.6
|
30.8
|
1.0
|
CB
|
A:CYS158
|
3.9
|
27.9
|
1.0
|
SG
|
A:CYS158
|
4.0
|
28.9
|
1.0
|
OD1
|
A:ASP81
|
4.0
|
28.5
|
1.0
|
NE2
|
A:HIS79
|
4.2
|
32.8
|
1.0
|
CG
|
A:HIS77
|
4.2
|
23.1
|
1.0
|
CD2
|
A:HIS79
|
4.2
|
28.6
|
1.0
|
CG
|
A:HIS139
|
4.2
|
33.0
|
1.0
|
ND1
|
A:HIS139
|
4.2
|
29.2
|
1.0
|
ND1
|
A:HIS77
|
4.3
|
21.5
|
1.0
|
O
|
A:HOH446
|
4.4
|
61.3
|
1.0
|
CG2
|
A:THR140
|
4.5
|
29.3
|
1.0
|
C03
|
A:QT2303
|
4.6
|
49.5
|
1.0
|
OD2
|
A:ASP81
|
4.7
|
28.8
|
1.0
|
CG
|
A:ASP81
|
4.8
|
27.6
|
1.0
|
CA
|
A:HIS79
|
4.8
|
26.5
|
1.0
|
N17
|
A:QT2303
|
4.9
|
60.2
|
1.0
|
|
Zinc binding site 2 out
of 8 in 6zyr
Go back to
Zinc Binding Sites List in 6zyr
Zinc binding site 2 out
of 8 in the Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn302
b:30.8
occ:1.00
|
OD2
|
A:ASP81
|
1.9
|
28.8
|
1.0
|
NE2
|
A:HIS197
|
2.1
|
35.8
|
1.0
|
S01
|
A:QT2303
|
2.2
|
32.0
|
1.0
|
SG
|
A:CYS158
|
2.3
|
28.9
|
1.0
|
CG
|
A:ASP81
|
2.9
|
27.6
|
1.0
|
CE1
|
A:HIS197
|
3.0
|
34.9
|
1.0
|
CD2
|
A:HIS197
|
3.1
|
36.5
|
1.0
|
C02
|
A:QT2303
|
3.2
|
37.6
|
1.0
|
OD1
|
A:ASP81
|
3.3
|
28.5
|
1.0
|
CB
|
A:CYS158
|
3.4
|
27.9
|
1.0
|
ZN
|
A:ZN301
|
3.6
|
28.2
|
1.0
|
S09
|
A:QT2303
|
3.8
|
52.5
|
1.0
|
ND1
|
A:HIS197
|
4.1
|
35.4
|
1.0
|
C03
|
A:QT2303
|
4.2
|
49.5
|
1.0
|
CG
|
A:HIS197
|
4.2
|
36.4
|
1.0
|
NE2
|
A:HIS77
|
4.2
|
22.9
|
1.0
|
CE1
|
A:HIS77
|
4.3
|
24.1
|
1.0
|
CB
|
A:ASP81
|
4.3
|
25.9
|
1.0
|
CB
|
A:SER196
|
4.3
|
32.9
|
1.0
|
CE
|
A:LYS33
|
4.5
|
22.1
|
1.0
|
CA
|
A:CYS158
|
4.5
|
30.8
|
1.0
|
CD
|
A:LYS33
|
4.6
|
24.7
|
1.0
|
NE2
|
A:HIS139
|
4.6
|
30.3
|
1.0
|
C11
|
A:QT2303
|
4.6
|
62.0
|
1.0
|
OG
|
A:SER196
|
4.7
|
29.3
|
1.0
|
C10
|
A:QT2303
|
4.8
|
61.3
|
1.0
|
O
|
A:HOH493
|
4.8
|
40.3
|
1.0
|
C13
|
A:QT2303
|
5.0
|
67.9
|
1.0
|
|
Zinc binding site 3 out
of 8 in 6zyr
Go back to
Zinc Binding Sites List in 6zyr
Zinc binding site 3 out
of 8 in the Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn301
b:28.6
occ:1.00
|
H18
|
B:QT2303
|
1.7
|
43.3
|
1.0
|
ND1
|
B:HIS79
|
2.1
|
28.3
|
1.0
|
NE2
|
B:HIS139
|
2.1
|
27.8
|
1.0
|
NE2
|
B:HIS77
|
2.1
|
24.3
|
1.0
|
S01
|
B:QT2303
|
2.5
|
36.0
|
1.0
|
H2
|
B:QT2303
|
2.7
|
48.5
|
1.0
|
CD2
|
B:HIS77
|
2.9
|
23.8
|
1.0
|
CD2
|
B:HIS139
|
3.0
|
26.9
|
1.0
|
CG
|
B:HIS79
|
3.0
|
25.8
|
1.0
|
C02
|
B:QT2303
|
3.0
|
40.3
|
1.0
|
CE1
|
B:HIS79
|
3.1
|
30.8
|
1.0
|
CE1
|
B:HIS139
|
3.1
|
31.5
|
1.0
|
CE1
|
B:HIS77
|
3.2
|
22.4
|
1.0
|
H1
|
B:QT2303
|
3.3
|
48.5
|
1.0
|
CB
|
B:HIS79
|
3.3
|
24.1
|
1.0
|
ZN
|
B:ZN302
|
3.6
|
29.5
|
1.0
|
CB
|
B:CYS158
|
4.0
|
29.0
|
1.0
|
OD1
|
B:ASP81
|
4.0
|
26.7
|
1.0
|
SG
|
B:CYS158
|
4.1
|
28.6
|
1.0
|
CG
|
B:HIS77
|
4.1
|
29.1
|
1.0
|
NE2
|
B:HIS79
|
4.1
|
29.3
|
1.0
|
CD2
|
B:HIS79
|
4.1
|
27.2
|
1.0
|
CG
|
B:HIS139
|
4.2
|
29.0
|
1.0
|
ND1
|
B:HIS139
|
4.2
|
29.7
|
1.0
|
ND1
|
B:HIS77
|
4.2
|
23.0
|
1.0
|
C03
|
B:QT2303
|
4.5
|
55.2
|
1.0
|
CG2
|
B:THR140
|
4.5
|
27.8
|
1.0
|
CA
|
B:HIS79
|
4.7
|
23.0
|
1.0
|
N17
|
B:QT2303
|
4.8
|
68.0
|
1.0
|
OD2
|
B:ASP81
|
4.8
|
28.5
|
1.0
|
CG
|
B:ASP81
|
4.8
|
28.1
|
1.0
|
O
|
B:HOH526
|
4.9
|
62.7
|
1.0
|
O
|
B:HOH402
|
4.9
|
57.5
|
1.0
|
|
Zinc binding site 4 out
of 8 in 6zyr
Go back to
Zinc Binding Sites List in 6zyr
Zinc binding site 4 out
of 8 in the Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn302
b:29.5
occ:1.00
|
NE2
|
B:HIS197
|
2.1
|
32.2
|
1.0
|
OD2
|
B:ASP81
|
2.1
|
28.5
|
1.0
|
S01
|
B:QT2303
|
2.1
|
36.0
|
1.0
|
SG
|
B:CYS158
|
2.4
|
28.6
|
1.0
|
CE1
|
B:HIS197
|
2.9
|
30.8
|
1.0
|
CG
|
B:ASP81
|
3.0
|
28.1
|
1.0
|
H18
|
B:QT2303
|
3.0
|
43.3
|
1.0
|
H1
|
B:QT2303
|
3.1
|
48.5
|
1.0
|
CD2
|
B:HIS197
|
3.1
|
31.4
|
1.0
|
OD1
|
B:ASP81
|
3.2
|
26.7
|
1.0
|
C02
|
B:QT2303
|
3.2
|
40.3
|
1.0
|
CB
|
B:CYS158
|
3.4
|
29.0
|
1.0
|
ZN
|
B:ZN301
|
3.6
|
28.6
|
1.0
|
S09
|
B:QT2303
|
3.9
|
53.1
|
1.0
|
H2
|
B:QT2303
|
3.9
|
48.5
|
1.0
|
ND1
|
B:HIS197
|
4.0
|
32.4
|
1.0
|
CE1
|
B:HIS77
|
4.1
|
22.4
|
1.0
|
C03
|
B:QT2303
|
4.1
|
55.2
|
1.0
|
NE2
|
B:HIS77
|
4.1
|
24.3
|
1.0
|
CG
|
B:HIS197
|
4.2
|
33.3
|
1.0
|
CB
|
B:SER196
|
4.3
|
28.6
|
1.0
|
CB
|
B:ASP81
|
4.4
|
26.1
|
1.0
|
CD
|
B:LYS33
|
4.4
|
22.7
|
1.0
|
CE
|
B:LYS33
|
4.5
|
22.2
|
1.0
|
CA
|
B:CYS158
|
4.5
|
28.1
|
1.0
|
NE2
|
B:HIS139
|
4.6
|
27.8
|
1.0
|
OG
|
B:SER196
|
4.6
|
29.1
|
1.0
|
O08
|
B:QT2303
|
4.8
|
54.7
|
1.0
|
H8
|
B:QT2303
|
4.9
|
79.2
|
1.0
|
C04
|
B:QT2303
|
4.9
|
54.5
|
1.0
|
|
Zinc binding site 5 out
of 8 in 6zyr
Go back to
Zinc Binding Sites List in 6zyr
Zinc binding site 5 out
of 8 in the Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn301
b:20.3
occ:1.00
|
H18
|
C:QT2303
|
1.8
|
28.5
|
1.0
|
NE2
|
C:HIS139
|
2.1
|
18.1
|
1.0
|
NE2
|
C:HIS77
|
2.1
|
18.5
|
1.0
|
ND1
|
C:HIS79
|
2.1
|
18.6
|
1.0
|
S01
|
C:QT2303
|
2.4
|
23.7
|
1.0
|
CD2
|
C:HIS77
|
2.9
|
17.4
|
1.0
|
H2
|
C:QT2303
|
3.0
|
35.4
|
1.0
|
CD2
|
C:HIS139
|
3.1
|
18.9
|
1.0
|
CE1
|
C:HIS79
|
3.1
|
20.3
|
1.0
|
CE1
|
C:HIS139
|
3.1
|
19.8
|
1.0
|
CG
|
C:HIS79
|
3.1
|
21.7
|
1.0
|
C02
|
C:QT2303
|
3.2
|
29.4
|
1.0
|
CE1
|
C:HIS77
|
3.2
|
17.5
|
1.0
|
H1
|
C:QT2303
|
3.4
|
35.4
|
1.0
|
CB
|
C:HIS79
|
3.4
|
19.4
|
1.0
|
ZN
|
C:ZN302
|
3.6
|
24.9
|
1.0
|
OD1
|
C:ASP81
|
4.0
|
24.0
|
1.0
|
CB
|
C:CYS158
|
4.0
|
22.6
|
1.0
|
SG
|
C:CYS158
|
4.0
|
23.2
|
1.0
|
CG
|
C:HIS77
|
4.1
|
20.1
|
1.0
|
NE2
|
C:HIS79
|
4.2
|
19.5
|
1.0
|
ND1
|
C:HIS139
|
4.2
|
19.5
|
1.0
|
CG
|
C:HIS139
|
4.2
|
18.0
|
1.0
|
CD2
|
C:HIS79
|
4.2
|
20.7
|
1.0
|
ND1
|
C:HIS77
|
4.2
|
20.9
|
1.0
|
O
|
C:HOH538
|
4.3
|
50.5
|
1.0
|
CG2
|
C:THR140
|
4.5
|
22.2
|
1.0
|
OD2
|
C:ASP81
|
4.7
|
22.8
|
1.0
|
C03
|
C:QT2303
|
4.7
|
37.8
|
1.0
|
CG
|
C:ASP81
|
4.8
|
26.8
|
1.0
|
CA
|
C:HIS79
|
4.8
|
19.3
|
1.0
|
O
|
C:HOH414
|
4.8
|
35.8
|
1.0
|
|
Zinc binding site 6 out
of 8 in 6zyr
Go back to
Zinc Binding Sites List in 6zyr
Zinc binding site 6 out
of 8 in the Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn302
b:24.9
occ:1.00
|
H18
|
C:QT2303
|
1.8
|
28.5
|
1.0
|
OD2
|
C:ASP81
|
2.0
|
22.8
|
1.0
|
NE2
|
C:HIS197
|
2.1
|
21.4
|
1.0
|
S01
|
C:QT2303
|
2.3
|
23.7
|
1.0
|
SG
|
C:CYS158
|
2.4
|
23.2
|
1.0
|
CE1
|
C:HIS197
|
3.0
|
22.2
|
1.0
|
CG
|
C:ASP81
|
3.0
|
26.8
|
1.0
|
CD2
|
C:HIS197
|
3.2
|
21.2
|
1.0
|
H1
|
C:QT2303
|
3.2
|
35.4
|
1.0
|
OD1
|
C:ASP81
|
3.3
|
24.0
|
1.0
|
C02
|
C:QT2303
|
3.4
|
29.4
|
1.0
|
CB
|
C:CYS158
|
3.5
|
22.6
|
1.0
|
ZN
|
C:ZN301
|
3.6
|
20.3
|
1.0
|
S09
|
C:QT2303
|
3.7
|
41.8
|
1.0
|
NE2
|
C:HIS77
|
4.1
|
18.5
|
1.0
|
ND1
|
C:HIS197
|
4.1
|
22.5
|
1.0
|
O
|
C:HOH414
|
4.1
|
35.8
|
1.0
|
H2
|
C:QT2303
|
4.1
|
35.4
|
1.0
|
CE1
|
C:HIS77
|
4.1
|
17.5
|
1.0
|
C03
|
C:QT2303
|
4.2
|
37.8
|
1.0
|
CG
|
C:HIS197
|
4.2
|
22.8
|
1.0
|
H14
|
C:QT2303
|
4.3
|
58.2
|
1.0
|
H9
|
C:QT2303
|
4.3
|
56.0
|
1.0
|
CB
|
C:SER196
|
4.3
|
21.8
|
1.0
|
CB
|
C:ASP81
|
4.3
|
23.4
|
1.0
|
CE
|
C:LYS33
|
4.5
|
22.2
|
1.0
|
CD
|
C:LYS33
|
4.5
|
20.1
|
1.0
|
OG
|
C:SER196
|
4.6
|
19.6
|
1.0
|
NE2
|
C:HIS139
|
4.6
|
18.1
|
1.0
|
CA
|
C:CYS158
|
4.6
|
25.2
|
1.0
|
C10
|
C:QT2303
|
4.8
|
44.0
|
1.0
|
C11
|
C:QT2303
|
4.8
|
46.5
|
1.0
|
C13
|
C:QT2303
|
4.9
|
48.4
|
1.0
|
H8
|
C:QT2303
|
4.9
|
56.0
|
1.0
|
N17
|
C:QT2303
|
4.9
|
43.5
|
1.0
|
|
Zinc binding site 7 out
of 8 in 6zyr
Go back to
Zinc Binding Sites List in 6zyr
Zinc binding site 7 out
of 8 in the Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn301
b:41.5
occ:1.00
|
OD2
|
D:ASP81
|
2.0
|
42.8
|
1.0
|
NE2
|
D:HIS197
|
2.1
|
42.2
|
1.0
|
S01
|
D:QT2303
|
2.3
|
40.3
|
1.0
|
SG
|
D:CYS158
|
2.3
|
35.9
|
1.0
|
CG
|
D:ASP81
|
3.0
|
41.8
|
1.0
|
CE1
|
D:HIS197
|
3.0
|
41.9
|
1.0
|
CD2
|
D:HIS197
|
3.1
|
41.0
|
1.0
|
H1
|
D:QT2303
|
3.3
|
56.1
|
1.0
|
CB
|
D:CYS158
|
3.3
|
37.1
|
1.0
|
H18
|
D:QT2303
|
3.3
|
48.5
|
1.0
|
OD1
|
D:ASP81
|
3.4
|
40.4
|
1.0
|
C02
|
D:QT2303
|
3.4
|
46.7
|
1.0
|
ZN
|
D:ZN302
|
3.6
|
38.6
|
1.0
|
S09
|
D:QT2303
|
3.9
|
61.4
|
1.0
|
CE1
|
D:HIS77
|
4.1
|
41.8
|
1.0
|
NE2
|
D:HIS77
|
4.1
|
37.3
|
1.0
|
H2
|
D:QT2303
|
4.1
|
56.1
|
1.0
|
ND1
|
D:HIS197
|
4.1
|
43.4
|
1.0
|
CG
|
D:HIS197
|
4.2
|
47.5
|
1.0
|
H9
|
D:QT2303
|
4.3
|
79.6
|
1.0
|
CB
|
D:ASP81
|
4.3
|
42.8
|
1.0
|
H14
|
D:QT2303
|
4.3
|
83.5
|
1.0
|
C03
|
D:QT2303
|
4.3
|
58.0
|
1.0
|
CB
|
D:SER196
|
4.3
|
35.8
|
1.0
|
CD
|
D:LYS33
|
4.5
|
34.7
|
1.0
|
CA
|
D:CYS158
|
4.5
|
36.0
|
1.0
|
CE
|
D:LYS33
|
4.5
|
33.5
|
1.0
|
NE2
|
D:HIS139
|
4.6
|
37.9
|
1.0
|
OG
|
D:SER196
|
4.8
|
36.9
|
1.0
|
C11
|
D:QT2303
|
4.9
|
66.3
|
1.0
|
C13
|
D:QT2303
|
5.0
|
69.5
|
1.0
|
C10
|
D:QT2303
|
5.0
|
67.7
|
1.0
|
H8
|
D:QT2303
|
5.0
|
79.6
|
1.0
|
|
Zinc binding site 8 out
of 8 in 6zyr
Go back to
Zinc Binding Sites List in 6zyr
Zinc binding site 8 out
of 8 in the Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn302
b:38.6
occ:1.00
|
ND1
|
D:HIS79
|
2.1
|
41.5
|
1.0
|
NE2
|
D:HIS139
|
2.1
|
37.9
|
1.0
|
NE2
|
D:HIS77
|
2.1
|
37.3
|
1.0
|
S01
|
D:QT2303
|
2.3
|
40.3
|
1.0
|
H18
|
D:QT2303
|
2.4
|
48.5
|
1.0
|
CD2
|
D:HIS77
|
2.9
|
36.5
|
1.0
|
CE1
|
D:HIS79
|
3.0
|
42.5
|
1.0
|
CG
|
D:HIS79
|
3.0
|
42.1
|
1.0
|
CD2
|
D:HIS139
|
3.0
|
34.6
|
1.0
|
CE1
|
D:HIS139
|
3.1
|
37.9
|
1.0
|
H2
|
D:QT2303
|
3.1
|
56.1
|
1.0
|
CE1
|
D:HIS77
|
3.2
|
41.8
|
1.0
|
C02
|
D:QT2303
|
3.3
|
46.7
|
1.0
|
CB
|
D:HIS79
|
3.4
|
39.5
|
1.0
|
ZN
|
D:ZN301
|
3.6
|
41.5
|
1.0
|
H1
|
D:QT2303
|
3.7
|
56.1
|
1.0
|
CB
|
D:CYS158
|
3.9
|
37.1
|
1.0
|
SG
|
D:CYS158
|
4.0
|
35.9
|
1.0
|
OD1
|
D:ASP81
|
4.0
|
40.4
|
1.0
|
NE2
|
D:HIS79
|
4.1
|
42.0
|
1.0
|
CD2
|
D:HIS79
|
4.1
|
41.5
|
1.0
|
CG
|
D:HIS77
|
4.1
|
37.7
|
1.0
|
ND1
|
D:HIS139
|
4.2
|
36.8
|
1.0
|
CG
|
D:HIS139
|
4.2
|
35.7
|
1.0
|
ND1
|
D:HIS77
|
4.3
|
37.3
|
1.0
|
CG2
|
D:THR140
|
4.6
|
39.5
|
1.0
|
OD2
|
D:ASP81
|
4.6
|
42.8
|
1.0
|
C03
|
D:QT2303
|
4.6
|
58.0
|
1.0
|
O
|
D:HOH470
|
4.7
|
60.7
|
1.0
|
H14
|
D:QT2303
|
4.7
|
83.5
|
1.0
|
CG
|
D:ASP81
|
4.8
|
41.8
|
1.0
|
N17
|
D:QT2303
|
4.8
|
65.1
|
1.0
|
CA
|
D:HIS79
|
4.8
|
38.1
|
1.0
|
|
Reference:
M.Rossi,
V.Martinez,
P.Hinchliffe,
M.F.Mojica,
V.Castillo,
D.M.Moreno,
R.Smith,
B.Spellberg,
G.L.Drusano,
C.Banchio,
R.A.Bonomo,
J.Spencer,
A.J.Vila,
G.Mahler.
2-Mercaptomethyl-Thiazolidines Use Conserved Aromatic-S Interactions to Achieve Broad-Range Inhibition of Metallo-Beta-Lactamases Chem Sci 2021.
ISSN: ESSN 2041-6539
DOI: 10.1039/D0SC05172A
Page generated: Tue Oct 29 16:12:16 2024
|