Zinc in PDB 7bj9: Structure of Sfh-I with 2-Mercaptomethyl-Thiazolidine L-Anti-1A
Enzymatic activity of Structure of Sfh-I with 2-Mercaptomethyl-Thiazolidine L-Anti-1A
All present enzymatic activity of Structure of Sfh-I with 2-Mercaptomethyl-Thiazolidine L-Anti-1A:
3.5.2.6;
Protein crystallography data
The structure of Structure of Sfh-I with 2-Mercaptomethyl-Thiazolidine L-Anti-1A, PDB code: 7bj9
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)
|
72.06 /
1.21
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
33.083,
88.071,
72.061,
90,
90.51,
90
|
R / Rfree (%)
|
13.6 /
15.2
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Structure of Sfh-I with 2-Mercaptomethyl-Thiazolidine L-Anti-1A
(pdb code 7bj9). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the
Structure of Sfh-I with 2-Mercaptomethyl-Thiazolidine L-Anti-1A, PDB code: 7bj9:
Jump to Zinc binding site number:
1;
2;
Zinc binding site 1 out
of 2 in 7bj9
Go back to
Zinc Binding Sites List in 7bj9
Zinc binding site 1 out
of 2 in the Structure of Sfh-I with 2-Mercaptomethyl-Thiazolidine L-Anti-1A
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Structure of Sfh-I with 2-Mercaptomethyl-Thiazolidine L-Anti-1A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn401
b:10.3
occ:1.00
|
OD2
|
B:ASP120
|
1.9
|
9.3
|
1.0
|
NE2
|
B:HIS263
|
2.1
|
9.1
|
1.0
|
H011
|
B:TWW402
|
2.1
|
16.0
|
1.0
|
S01
|
B:TWW402
|
2.3
|
13.3
|
1.0
|
SG
|
B:CYS221
|
2.3
|
11.8
|
1.0
|
CE1
|
B:HIS263
|
3.0
|
9.3
|
1.0
|
CG
|
B:ASP120
|
3.0
|
7.6
|
1.0
|
HB3
|
B:CYS221
|
3.1
|
13.9
|
1.0
|
HE1
|
B:HIS263
|
3.1
|
11.1
|
1.0
|
H021
|
B:TWW402
|
3.1
|
20.1
|
1.0
|
CD2
|
B:HIS263
|
3.2
|
8.7
|
1.0
|
O
|
B:HOH513
|
3.2
|
33.3
|
1.0
|
C02
|
B:TWW402
|
3.2
|
16.8
|
1.0
|
CB
|
B:CYS221
|
3.3
|
11.6
|
1.0
|
OD1
|
B:ASP120
|
3.3
|
10.6
|
1.0
|
HH21
|
B:ARG121
|
3.4
|
13.9
|
1.0
|
HD2
|
B:HIS263
|
3.4
|
10.4
|
1.0
|
H022
|
B:TWW402
|
3.4
|
20.1
|
1.0
|
NH2
|
B:ARG121
|
3.9
|
11.6
|
1.0
|
HB2
|
B:CYS221
|
4.0
|
13.9
|
1.0
|
HA
|
B:CYS221
|
4.1
|
11.0
|
1.0
|
HE
|
B:ARG121
|
4.1
|
9.7
|
1.0
|
ND1
|
B:HIS263
|
4.1
|
8.4
|
1.0
|
HE1
|
B:HIS196
|
4.2
|
14.1
|
1.0
|
CG
|
B:HIS263
|
4.2
|
8.7
|
1.0
|
HH22
|
B:ARG121
|
4.3
|
13.9
|
1.0
|
CB
|
B:ASP120
|
4.3
|
6.7
|
1.0
|
CA
|
B:CYS221
|
4.3
|
9.2
|
1.0
|
HB2
|
B:ASP120
|
4.4
|
8.0
|
1.0
|
O
|
B:HOH577
|
4.4
|
19.9
|
1.0
|
HB3
|
B:ASP120
|
4.5
|
8.0
|
1.0
|
CE1
|
B:HIS196
|
4.5
|
11.8
|
1.0
|
NE
|
B:ARG121
|
4.5
|
8.1
|
1.0
|
CZ
|
B:ARG121
|
4.5
|
8.4
|
1.0
|
O
|
B:HOH643
|
4.6
|
12.4
|
1.0
|
HD21
|
B:ASN116
|
4.6
|
11.5
|
1.0
|
NE2
|
B:HIS196
|
4.6
|
11.7
|
1.0
|
O05
|
B:TWW402
|
4.7
|
17.7
|
1.0
|
H072
|
B:TWW402
|
4.7
|
23.6
|
1.0
|
HG2
|
B:ARG121
|
4.8
|
7.2
|
1.0
|
C03
|
B:TWW402
|
4.9
|
16.2
|
1.0
|
HD1
|
B:HIS263
|
4.9
|
10.1
|
1.0
|
C04
|
B:TWW402
|
5.0
|
18.1
|
1.0
|
|
Zinc binding site 2 out
of 2 in 7bj9
Go back to
Zinc Binding Sites List in 7bj9
Zinc binding site 2 out
of 2 in the Structure of Sfh-I with 2-Mercaptomethyl-Thiazolidine L-Anti-1A
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Structure of Sfh-I with 2-Mercaptomethyl-Thiazolidine L-Anti-1A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn401
b:12.5
occ:1.00
|
OD2
|
A:ASP120
|
1.9
|
12.2
|
1.0
|
NE2
|
A:HIS263
|
2.1
|
11.3
|
1.0
|
H011
|
A:TWW402
|
2.2
|
20.1
|
1.0
|
S01
|
A:TWW402
|
2.3
|
16.8
|
1.0
|
SG
|
A:CYS221
|
2.4
|
14.0
|
1.0
|
CG
|
A:ASP120
|
3.0
|
10.6
|
1.0
|
CE1
|
A:HIS263
|
3.0
|
11.8
|
1.0
|
HB3
|
A:CYS221
|
3.1
|
16.9
|
1.0
|
HE1
|
A:HIS263
|
3.1
|
14.2
|
1.0
|
CD2
|
A:HIS263
|
3.2
|
11.0
|
1.0
|
H022
|
A:TWW402
|
3.2
|
24.7
|
1.0
|
C02
|
A:TWW402
|
3.3
|
20.6
|
1.0
|
HH21
|
A:ARG121
|
3.3
|
15.4
|
1.0
|
CB
|
A:CYS221
|
3.3
|
14.1
|
1.0
|
OD1
|
A:ASP120
|
3.3
|
12.1
|
1.0
|
HD2
|
A:HIS263
|
3.4
|
13.2
|
1.0
|
H021
|
A:TWW402
|
3.4
|
24.7
|
1.0
|
NH2
|
A:ARG121
|
3.8
|
12.8
|
1.0
|
HA
|
A:CYS221
|
4.0
|
14.7
|
1.0
|
HB2
|
A:CYS221
|
4.0
|
16.9
|
1.0
|
HE
|
A:ARG121
|
4.1
|
11.9
|
1.0
|
ND1
|
A:HIS263
|
4.1
|
11.3
|
1.0
|
HH22
|
A:ARG121
|
4.2
|
15.4
|
1.0
|
CB
|
A:ASP120
|
4.2
|
9.9
|
1.0
|
CG
|
A:HIS263
|
4.3
|
10.9
|
1.0
|
CA
|
A:CYS221
|
4.3
|
12.3
|
1.0
|
HE1
|
A:HIS196
|
4.3
|
17.3
|
1.0
|
HB2
|
A:ASP120
|
4.4
|
11.8
|
1.0
|
O
|
A:HOH549
|
4.5
|
19.4
|
1.0
|
HB3
|
A:ASP120
|
4.5
|
11.8
|
1.0
|
CZ
|
A:ARG121
|
4.5
|
10.2
|
1.0
|
NE
|
A:ARG121
|
4.5
|
9.9
|
1.0
|
CE1
|
A:HIS196
|
4.6
|
14.4
|
1.0
|
O
|
A:HOH589
|
4.6
|
16.1
|
1.0
|
HD21
|
A:ASN116
|
4.6
|
12.5
|
1.0
|
NE2
|
A:HIS196
|
4.7
|
14.1
|
1.0
|
H073
|
A:TWW402
|
4.7
|
29.2
|
1.0
|
O05
|
A:TWW402
|
4.7
|
24.1
|
1.0
|
HG2
|
A:ARG121
|
4.8
|
9.8
|
1.0
|
HD1
|
A:HIS263
|
4.9
|
13.6
|
1.0
|
C03
|
A:TWW402
|
4.9
|
23.4
|
1.0
|
C04
|
A:TWW402
|
5.0
|
24.4
|
1.0
|
|
Reference:
P.Hinchliffe,
D.M.Moreno,
M.A.Rossi,
M.F.Mojica,
V.Martinez,
V.Villamil,
B.Spellberg,
G.L.Drusano,
C.Banchio,
G.Mahler,
R.A.Bonomo,
A.J.Vila,
J.Spencer.
2-Mercaptomethyl Thiazolidines (Mmtzs) Inhibit All Metallo-Beta-Lactamase Classes By Maintaining A Conserved Binding Mode. Acs Infect Dis. 2021.
ISSN: ESSN 2373-8227
PubMed: 34355567
DOI: 10.1021/ACSINFECDIS.1C00194
Page generated: Fri Sep 24 17:04:07 2021
|