Zinc in PDB 4u4l: Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor
Enzymatic activity of Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor
All present enzymatic activity of Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor:
3.5.2.6;
Protein crystallography data
The structure of Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor, PDB code: 4u4l
was solved by
M.Kosmopoulou,
P.Hinchliffe,
J.Spencer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
27.88 /
1.90
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
46.570,
69.023,
69.646,
87.39,
88.21,
76.75
|
R / Rfree (%)
|
15.4 /
18.2
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor
(pdb code 4u4l). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor, PDB code: 4u4l:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 4u4l
Go back to
Zinc Binding Sites List in 4u4l
Zinc binding site 1 out
of 8 in the Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn301
b:19.5
occ:1.00
|
HS01
|
A:3C7303
|
1.3
|
32.5
|
1.0
|
ND1
|
A:HIS122
|
2.0
|
19.5
|
1.0
|
NE2
|
A:HIS120
|
2.1
|
15.3
|
1.0
|
NE2
|
A:HIS189
|
2.1
|
18.0
|
1.0
|
S01
|
A:3C7303
|
2.4
|
27.1
|
1.0
|
CE1
|
A:HIS122
|
2.9
|
20.8
|
1.0
|
CE1
|
A:HIS120
|
3.0
|
17.3
|
1.0
|
CD2
|
A:HIS189
|
3.0
|
17.4
|
1.0
|
CG
|
A:HIS122
|
3.1
|
17.7
|
1.0
|
CD2
|
A:HIS120
|
3.1
|
15.5
|
1.0
|
CE1
|
A:HIS189
|
3.2
|
20.7
|
1.0
|
H021
|
A:3C7303
|
3.2
|
46.2
|
1.0
|
C02
|
A:3C7303
|
3.3
|
38.5
|
1.0
|
CB
|
A:HIS122
|
3.5
|
17.2
|
1.0
|
H022
|
A:3C7303
|
3.6
|
46.2
|
1.0
|
ZN
|
A:ZN302
|
3.7
|
21.4
|
1.0
|
SG
|
A:CYS208
|
3.9
|
19.6
|
1.0
|
CB
|
A:CYS208
|
4.0
|
17.0
|
1.0
|
NE2
|
A:HIS122
|
4.0
|
20.6
|
1.0
|
ND1
|
A:HIS120
|
4.1
|
14.9
|
1.0
|
CD2
|
A:HIS122
|
4.1
|
18.6
|
1.0
|
CG
|
A:HIS120
|
4.2
|
14.8
|
1.0
|
CG
|
A:HIS189
|
4.2
|
17.6
|
1.0
|
ND1
|
A:HIS189
|
4.3
|
19.8
|
1.0
|
OD1
|
A:ASP124
|
4.3
|
16.9
|
1.0
|
CG2
|
A:THR190
|
4.5
|
10.9
|
1.0
|
O
|
A:HOH562
|
4.6
|
29.1
|
1.0
|
C03
|
A:3C7303
|
4.7
|
40.6
|
1.0
|
OD2
|
A:ASP124
|
4.8
|
18.4
|
1.0
|
H03
|
A:3C7303
|
4.9
|
48.7
|
1.0
|
CA
|
A:HIS122
|
4.9
|
18.0
|
1.0
|
|
Zinc binding site 2 out
of 8 in 4u4l
Go back to
Zinc Binding Sites List in 4u4l
Zinc binding site 2 out
of 8 in the Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn302
b:21.4
occ:1.00
|
OD2
|
A:ASP124
|
2.0
|
18.4
|
1.0
|
NE2
|
A:HIS250
|
2.1
|
19.9
|
1.0
|
SG
|
A:CYS208
|
2.3
|
19.6
|
1.0
|
S01
|
A:3C7303
|
2.3
|
27.1
|
1.0
|
CE1
|
A:HIS250
|
2.8
|
21.5
|
1.0
|
CG
|
A:ASP124
|
3.0
|
18.1
|
1.0
|
H03
|
A:3C7303
|
3.2
|
48.7
|
1.0
|
CD2
|
A:HIS250
|
3.2
|
18.9
|
1.0
|
H08
|
A:3C7303
|
3.2
|
51.8
|
1.0
|
HS01
|
A:3C7303
|
3.3
|
32.5
|
1.0
|
OD1
|
A:ASP124
|
3.4
|
16.9
|
1.0
|
CB
|
A:CYS208
|
3.5
|
17.0
|
1.0
|
C02
|
A:3C7303
|
3.5
|
38.5
|
1.0
|
ZN
|
A:ZN301
|
3.7
|
19.5
|
1.0
|
C03
|
A:3C7303
|
3.8
|
40.6
|
1.0
|
H021
|
A:3C7303
|
3.8
|
46.2
|
1.0
|
ND1
|
A:HIS250
|
4.0
|
21.8
|
1.0
|
CB
|
A:SER249
|
4.0
|
18.7
|
1.0
|
C08
|
A:3C7303
|
4.2
|
43.1
|
1.0
|
CG
|
A:HIS250
|
4.2
|
22.3
|
1.0
|
CB
|
A:ASP124
|
4.3
|
13.0
|
1.0
|
OG
|
A:SER249
|
4.4
|
20.0
|
1.0
|
N07
|
A:3C7303
|
4.4
|
42.1
|
1.0
|
H022
|
A:3C7303
|
4.5
|
46.2
|
1.0
|
CE1
|
A:HIS120
|
4.6
|
17.3
|
1.0
|
NE2
|
A:HIS189
|
4.6
|
18.0
|
1.0
|
NE2
|
A:HIS120
|
4.6
|
15.3
|
1.0
|
CA
|
A:CYS208
|
4.7
|
16.3
|
1.0
|
CE
|
A:LYS125
|
4.8
|
14.5
|
1.0
|
CD
|
A:LYS125
|
4.9
|
10.9
|
1.0
|
OG
|
A:SER75
|
4.9
|
15.0
|
1.0
|
CG
|
A:LYS125
|
4.9
|
11.1
|
1.0
|
C09
|
A:3C7303
|
5.0
|
43.3
|
1.0
|
|
Zinc binding site 3 out
of 8 in 4u4l
Go back to
Zinc Binding Sites List in 4u4l
Zinc binding site 3 out
of 8 in the Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn301
b:18.8
occ:1.00
|
OD2
|
B:ASP124
|
1.9
|
15.3
|
1.0
|
NE2
|
B:HIS250
|
2.1
|
14.4
|
1.0
|
SG
|
B:CYS208
|
2.3
|
18.0
|
1.0
|
S01
|
B:3C7303
|
2.3
|
21.5
|
1.0
|
CG
|
B:ASP124
|
3.0
|
17.3
|
1.0
|
CE1
|
B:HIS250
|
3.0
|
16.7
|
1.0
|
H08
|
B:3C7303
|
3.0
|
43.9
|
1.0
|
CD2
|
B:HIS250
|
3.1
|
17.1
|
1.0
|
H03
|
B:3C7303
|
3.2
|
42.5
|
1.0
|
HS01
|
B:3C7303
|
3.3
|
25.8
|
1.0
|
OD1
|
B:ASP124
|
3.4
|
16.8
|
1.0
|
C02
|
B:3C7303
|
3.5
|
34.8
|
1.0
|
CB
|
B:CYS208
|
3.5
|
14.7
|
1.0
|
H021
|
B:3C7303
|
3.6
|
41.7
|
1.0
|
ZN
|
B:ZN302
|
3.7
|
18.0
|
1.0
|
C03
|
B:3C7303
|
3.8
|
35.4
|
1.0
|
C08
|
B:3C7303
|
4.0
|
36.6
|
1.0
|
CB
|
B:SER249
|
4.1
|
14.9
|
1.0
|
ND1
|
B:HIS250
|
4.1
|
17.3
|
1.0
|
CG
|
B:HIS250
|
4.2
|
17.9
|
1.0
|
CB
|
B:ASP124
|
4.3
|
10.4
|
1.0
|
N07
|
B:3C7303
|
4.3
|
35.3
|
1.0
|
OG
|
B:SER249
|
4.4
|
14.2
|
1.0
|
H022
|
B:3C7303
|
4.4
|
41.7
|
1.0
|
CE1
|
B:HIS120
|
4.5
|
16.0
|
1.0
|
NE2
|
B:HIS120
|
4.5
|
13.6
|
1.0
|
CA
|
B:CYS208
|
4.7
|
12.8
|
1.0
|
NE2
|
B:HIS189
|
4.7
|
14.4
|
1.0
|
CE
|
B:LYS125
|
4.7
|
13.6
|
1.0
|
CD
|
B:LYS125
|
4.8
|
13.9
|
1.0
|
H121
|
B:3C7303
|
4.8
|
43.8
|
1.0
|
C09
|
B:3C7303
|
4.9
|
39.2
|
1.0
|
CG
|
B:LYS125
|
4.9
|
13.1
|
1.0
|
OG
|
B:SER75
|
5.0
|
17.1
|
1.0
|
|
Zinc binding site 4 out
of 8 in 4u4l
Go back to
Zinc Binding Sites List in 4u4l
Zinc binding site 4 out
of 8 in the Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn302
b:18.0
occ:1.00
|
HS01
|
B:3C7303
|
1.2
|
25.8
|
1.0
|
NE2
|
B:HIS120
|
2.0
|
13.6
|
1.0
|
ND1
|
B:HIS122
|
2.1
|
17.5
|
1.0
|
NE2
|
B:HIS189
|
2.1
|
14.4
|
1.0
|
S01
|
B:3C7303
|
2.4
|
21.5
|
1.0
|
CE1
|
B:HIS120
|
3.0
|
16.0
|
1.0
|
CE1
|
B:HIS122
|
3.0
|
18.2
|
1.0
|
CD2
|
B:HIS120
|
3.0
|
15.6
|
1.0
|
CD2
|
B:HIS189
|
3.1
|
15.2
|
1.0
|
CG
|
B:HIS122
|
3.1
|
17.9
|
1.0
|
CE1
|
B:HIS189
|
3.1
|
15.2
|
1.0
|
H021
|
B:3C7303
|
3.1
|
41.7
|
1.0
|
C02
|
B:3C7303
|
3.2
|
34.8
|
1.0
|
H022
|
B:3C7303
|
3.4
|
41.7
|
1.0
|
CB
|
B:HIS122
|
3.5
|
13.6
|
1.0
|
ZN
|
B:ZN301
|
3.7
|
18.8
|
1.0
|
CB
|
B:CYS208
|
4.0
|
14.7
|
1.0
|
SG
|
B:CYS208
|
4.0
|
18.0
|
1.0
|
ND1
|
B:HIS120
|
4.1
|
15.3
|
1.0
|
NE2
|
B:HIS122
|
4.1
|
19.0
|
1.0
|
CG
|
B:HIS120
|
4.2
|
15.4
|
1.0
|
CD2
|
B:HIS122
|
4.2
|
19.5
|
1.0
|
ND1
|
B:HIS189
|
4.2
|
13.2
|
1.0
|
CG
|
B:HIS189
|
4.2
|
14.1
|
1.0
|
OD1
|
B:ASP124
|
4.3
|
16.8
|
1.0
|
CG2
|
B:THR190
|
4.5
|
10.2
|
1.0
|
C03
|
B:3C7303
|
4.7
|
35.4
|
1.0
|
O
|
B:HOH561
|
4.7
|
39.1
|
1.0
|
OD2
|
B:ASP124
|
4.8
|
15.3
|
1.0
|
CA
|
B:HIS122
|
4.9
|
15.3
|
1.0
|
H03
|
B:3C7303
|
4.9
|
42.5
|
1.0
|
|
Zinc binding site 5 out
of 8 in 4u4l
Go back to
Zinc Binding Sites List in 4u4l
Zinc binding site 5 out
of 8 in the Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn301
b:20.4
occ:1.00
|
OD2
|
C:ASP124
|
2.0
|
16.5
|
1.0
|
NE2
|
C:HIS250
|
2.1
|
26.4
|
1.0
|
SG
|
C:CYS208
|
2.3
|
17.0
|
1.0
|
S01
|
C:3C7304
|
2.4
|
25.9
|
1.0
|
CE1
|
C:HIS250
|
3.0
|
21.7
|
1.0
|
CG
|
C:ASP124
|
3.0
|
17.6
|
1.0
|
H03
|
C:3C7304
|
3.0
|
34.8
|
1.0
|
H08
|
C:3C7304
|
3.1
|
41.4
|
1.0
|
CD2
|
C:HIS250
|
3.2
|
25.3
|
1.0
|
HS01
|
C:3C7304
|
3.2
|
31.1
|
1.0
|
OD1
|
C:ASP124
|
3.4
|
15.6
|
1.0
|
C02
|
C:3C7304
|
3.4
|
26.4
|
1.0
|
H021
|
C:3C7304
|
3.4
|
31.7
|
1.0
|
CB
|
C:CYS208
|
3.5
|
14.3
|
1.0
|
C03
|
C:3C7304
|
3.7
|
29.0
|
1.0
|
ZN
|
C:ZN302
|
3.8
|
18.9
|
1.0
|
C08
|
C:3C7304
|
4.1
|
34.5
|
1.0
|
ND1
|
C:HIS250
|
4.1
|
21.1
|
1.0
|
CB
|
C:SER249
|
4.1
|
17.3
|
1.0
|
CG
|
C:HIS250
|
4.3
|
25.9
|
1.0
|
CB
|
C:ASP124
|
4.3
|
16.9
|
1.0
|
N07
|
C:3C7304
|
4.4
|
33.0
|
1.0
|
H022
|
C:3C7304
|
4.4
|
31.7
|
1.0
|
OG
|
C:SER249
|
4.5
|
16.7
|
1.0
|
CE1
|
C:HIS120
|
4.6
|
14.4
|
1.0
|
NE2
|
C:HIS120
|
4.6
|
15.4
|
1.0
|
CA
|
C:CYS208
|
4.6
|
14.8
|
1.0
|
H121
|
C:3C7304
|
4.7
|
40.5
|
1.0
|
NE2
|
C:HIS189
|
4.7
|
10.8
|
1.0
|
CE
|
C:LYS125
|
4.8
|
13.0
|
1.0
|
CD
|
C:LYS125
|
4.8
|
12.3
|
1.0
|
CG
|
C:LYS125
|
4.9
|
14.2
|
1.0
|
OG
|
C:SER75
|
5.0
|
15.5
|
1.0
|
|
Zinc binding site 6 out
of 8 in 4u4l
Go back to
Zinc Binding Sites List in 4u4l
Zinc binding site 6 out
of 8 in the Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn302
b:18.9
occ:1.00
|
HS01
|
C:3C7304
|
1.3
|
31.1
|
1.0
|
ND1
|
C:HIS122
|
2.0
|
16.4
|
1.0
|
NE2
|
C:HIS120
|
2.1
|
15.4
|
1.0
|
NE2
|
C:HIS189
|
2.2
|
10.8
|
1.0
|
S01
|
C:3C7304
|
2.5
|
25.9
|
1.0
|
CE1
|
C:HIS122
|
2.9
|
19.0
|
1.0
|
CD2
|
C:HIS189
|
3.0
|
14.8
|
1.0
|
CE1
|
C:HIS120
|
3.0
|
14.4
|
1.0
|
CG
|
C:HIS122
|
3.1
|
15.8
|
1.0
|
H021
|
C:3C7304
|
3.1
|
31.7
|
1.0
|
CD2
|
C:HIS120
|
3.2
|
14.7
|
1.0
|
C02
|
C:3C7304
|
3.2
|
26.4
|
1.0
|
CE1
|
C:HIS189
|
3.2
|
11.3
|
1.0
|
H022
|
C:3C7304
|
3.4
|
31.7
|
1.0
|
CB
|
C:HIS122
|
3.5
|
15.4
|
1.0
|
ZN
|
C:ZN301
|
3.8
|
20.4
|
1.0
|
SG
|
C:CYS208
|
4.1
|
17.0
|
1.0
|
NE2
|
C:HIS122
|
4.1
|
18.1
|
1.0
|
CB
|
C:CYS208
|
4.1
|
14.3
|
1.0
|
CD2
|
C:HIS122
|
4.2
|
16.9
|
1.0
|
ND1
|
C:HIS120
|
4.2
|
15.8
|
1.0
|
CG
|
C:HIS189
|
4.2
|
12.4
|
1.0
|
CG
|
C:HIS120
|
4.3
|
13.4
|
1.0
|
ND1
|
C:HIS189
|
4.3
|
14.8
|
1.0
|
OD1
|
C:ASP124
|
4.4
|
15.6
|
1.0
|
O
|
C:HOH499
|
4.4
|
31.4
|
1.0
|
CG2
|
C:THR190
|
4.4
|
10.7
|
1.0
|
C03
|
C:3C7304
|
4.7
|
29.0
|
1.0
|
H03
|
C:3C7304
|
4.9
|
34.8
|
1.0
|
CA
|
C:HIS122
|
4.9
|
14.9
|
1.0
|
OD2
|
C:ASP124
|
5.0
|
16.5
|
1.0
|
|
Zinc binding site 7 out
of 8 in 4u4l
Go back to
Zinc Binding Sites List in 4u4l
Zinc binding site 7 out
of 8 in the Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn301
b:25.7
occ:1.00
|
OD2
|
D:ASP124
|
2.0
|
21.3
|
1.0
|
NE2
|
D:HIS250
|
2.1
|
23.8
|
1.0
|
SG
|
D:CYS208
|
2.3
|
21.3
|
1.0
|
S01
|
D:3C7304
|
2.4
|
27.3
|
1.0
|
CE1
|
D:HIS250
|
2.9
|
25.4
|
1.0
|
CG
|
D:ASP124
|
3.1
|
21.1
|
1.0
|
CD2
|
D:HIS250
|
3.1
|
24.9
|
1.0
|
H08
|
D:3C7304
|
3.2
|
53.0
|
1.0
|
H03
|
D:3C7304
|
3.2
|
52.8
|
1.0
|
HS01
|
D:3C7304
|
3.4
|
32.8
|
1.0
|
OD1
|
D:ASP124
|
3.4
|
18.2
|
1.0
|
C02
|
D:3C7304
|
3.5
|
42.8
|
1.0
|
CB
|
D:CYS208
|
3.5
|
24.0
|
1.0
|
H021
|
D:3C7304
|
3.7
|
51.3
|
1.0
|
ZN
|
D:ZN302
|
3.7
|
23.3
|
1.0
|
C03
|
D:3C7304
|
3.8
|
44.0
|
1.0
|
CB
|
D:SER249
|
4.0
|
21.5
|
1.0
|
ND1
|
D:HIS250
|
4.1
|
26.4
|
1.0
|
C08
|
D:3C7304
|
4.2
|
44.2
|
1.0
|
CG
|
D:HIS250
|
4.2
|
26.1
|
1.0
|
CB
|
D:ASP124
|
4.4
|
18.4
|
1.0
|
N07
|
D:3C7304
|
4.4
|
45.2
|
1.0
|
OG
|
D:SER249
|
4.4
|
22.3
|
1.0
|
H022
|
D:3C7304
|
4.5
|
51.3
|
1.0
|
CE1
|
D:HIS120
|
4.5
|
18.4
|
1.0
|
NE2
|
D:HIS120
|
4.5
|
19.7
|
1.0
|
CA
|
D:CYS208
|
4.7
|
18.9
|
1.0
|
NE2
|
D:HIS189
|
4.7
|
18.2
|
1.0
|
CE
|
D:LYS125
|
4.8
|
18.9
|
1.0
|
CD
|
D:LYS125
|
4.8
|
19.2
|
1.0
|
C09
|
D:3C7304
|
4.9
|
44.8
|
1.0
|
CG
|
D:LYS125
|
4.9
|
17.9
|
1.0
|
|
Zinc binding site 8 out
of 8 in 4u4l
Go back to
Zinc Binding Sites List in 4u4l
Zinc binding site 8 out
of 8 in the Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn302
b:23.3
occ:1.00
|
HS01
|
D:3C7304
|
1.2
|
32.8
|
1.0
|
ND1
|
D:HIS122
|
2.0
|
27.5
|
1.0
|
NE2
|
D:HIS189
|
2.2
|
18.2
|
1.0
|
NE2
|
D:HIS120
|
2.2
|
19.7
|
1.0
|
S01
|
D:3C7304
|
2.4
|
27.3
|
1.0
|
CE1
|
D:HIS122
|
2.9
|
27.8
|
1.0
|
CD2
|
D:HIS189
|
3.0
|
17.4
|
1.0
|
CG
|
D:HIS122
|
3.1
|
25.6
|
1.0
|
CD2
|
D:HIS120
|
3.1
|
18.0
|
1.0
|
CE1
|
D:HIS120
|
3.1
|
18.4
|
1.0
|
CE1
|
D:HIS189
|
3.2
|
18.7
|
1.0
|
H021
|
D:3C7304
|
3.3
|
51.3
|
1.0
|
C02
|
D:3C7304
|
3.4
|
42.8
|
1.0
|
CB
|
D:HIS122
|
3.5
|
20.1
|
1.0
|
H022
|
D:3C7304
|
3.6
|
51.3
|
1.0
|
ZN
|
D:ZN301
|
3.7
|
25.7
|
1.0
|
SG
|
D:CYS208
|
3.9
|
21.3
|
1.0
|
CB
|
D:CYS208
|
4.0
|
24.0
|
1.0
|
NE2
|
D:HIS122
|
4.0
|
27.2
|
1.0
|
CD2
|
D:HIS122
|
4.1
|
25.8
|
1.0
|
CG
|
D:HIS189
|
4.2
|
17.4
|
1.0
|
ND1
|
D:HIS120
|
4.2
|
15.5
|
1.0
|
CG
|
D:HIS120
|
4.3
|
13.6
|
1.0
|
ND1
|
D:HIS189
|
4.3
|
18.1
|
1.0
|
OD1
|
D:ASP124
|
4.3
|
18.2
|
1.0
|
CG2
|
D:THR190
|
4.5
|
14.4
|
1.0
|
C03
|
D:3C7304
|
4.8
|
44.0
|
1.0
|
OD2
|
D:ASP124
|
4.9
|
21.3
|
1.0
|
CA
|
D:HIS122
|
4.9
|
19.6
|
1.0
|
|
Reference:
M.Kosmopoulou,
P.Hinchliffe,
J.Spencer.
Crystal Structure of the Metallo-Beta-Lactamase Ndm-1 in Complex with A Bisthiazolidine Inhibitor To Be Published.
Page generated: Sun Oct 27 08:43:16 2024
|