Thallium in PDB 1lqo: Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations
Enzymatic activity of Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations
All present enzymatic activity of Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations:
2.5.1.18;
Protein crystallography data
The structure of Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations, PDB code: 1lqo
was solved by
C.L.Rife,
R.E.Pharris,
M.E.Newcomer,
R.N.Armstrong,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.00
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
55.797,
65.874,
76.958,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
19.7 /
25.2
|
Other elements in 1lqo:
The structure of Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations also contains other interesting chemical elements:
Thallium Binding Sites:
The binding sites of Thallium atom in the Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations
(pdb code 1lqo). This binding sites where shown within
5.0 Angstroms radius around Thallium atom.
In total 6 binding sites of Thallium where determined in the
Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations, PDB code: 1lqo:
Jump to Thallium binding site number:
1;
2;
3;
4;
5;
6;
Thallium binding site 1 out
of 6 in 1lqo
Go back to
Thallium Binding Sites List in 1lqo
Thallium binding site 1 out
of 6 in the Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 1 of Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl501
b:29.1
occ:0.50
|
O3
|
B:PO4201
|
2.4
|
42.7
|
1.0
|
O3
|
A:PO4202
|
2.5
|
33.6
|
1.0
|
O4
|
A:PO4202
|
2.8
|
28.5
|
1.0
|
NE2
|
A:HIS7
|
3.0
|
15.8
|
1.0
|
P
|
A:PO4202
|
3.1
|
32.2
|
1.0
|
SG
|
A:CYS48
|
3.3
|
30.5
|
1.0
|
CE1
|
A:HIS7
|
3.3
|
19.8
|
1.0
|
CD2
|
A:HIS7
|
3.3
|
19.3
|
1.0
|
P
|
B:PO4201
|
3.4
|
41.9
|
1.0
|
CZ2
|
A:TRP46
|
3.5
|
25.2
|
1.0
|
CH2
|
A:TRP46
|
3.5
|
25.9
|
1.0
|
NH1
|
B:ARG119
|
3.7
|
29.3
|
1.0
|
O4
|
B:PO4201
|
3.7
|
39.3
|
1.0
|
ND1
|
A:HIS7
|
3.8
|
18.9
|
1.0
|
O2
|
A:PO4202
|
3.8
|
34.4
|
1.0
|
CG
|
A:HIS7
|
3.8
|
19.6
|
1.0
|
MN
|
B:MN401
|
3.8
|
26.9
|
1.0
|
O1
|
B:PO4201
|
4.1
|
39.8
|
1.0
|
O
|
A:HOH753
|
4.2
|
30.5
|
1.0
|
CE2
|
A:TRP46
|
4.2
|
24.3
|
1.0
|
CZ3
|
A:TRP46
|
4.3
|
24.8
|
1.0
|
CE2
|
A:TYR39
|
4.3
|
29.9
|
1.0
|
CZ
|
B:ARG119
|
4.4
|
33.0
|
1.0
|
O1
|
A:PO4202
|
4.5
|
31.8
|
1.0
|
NH2
|
B:ARG119
|
4.5
|
32.3
|
1.0
|
CB
|
A:CYS48
|
4.5
|
24.1
|
1.0
|
O2
|
B:PO4201
|
4.6
|
47.7
|
1.0
|
OG1
|
A:THR9
|
4.7
|
20.1
|
1.0
|
OH
|
A:TYR39
|
4.7
|
24.1
|
1.0
|
CZ
|
A:TYR39
|
4.8
|
30.3
|
1.0
|
CB
|
A:HIS7
|
4.8
|
21.0
|
1.0
|
NE1
|
A:TRP46
|
4.9
|
22.1
|
1.0
|
CD2
|
A:TRP46
|
4.9
|
25.3
|
1.0
|
CE3
|
A:TRP46
|
4.9
|
23.7
|
1.0
|
|
Thallium binding site 2 out
of 6 in 1lqo
Go back to
Thallium Binding Sites List in 1lqo
Thallium binding site 2 out
of 6 in the Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 2 of Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl602
b:31.7
occ:0.70
|
O
|
A:GLY96
|
2.6
|
24.6
|
1.0
|
OD1
|
A:ASN92
|
2.6
|
29.8
|
1.0
|
OG
|
A:SER94
|
2.8
|
32.0
|
1.0
|
OG
|
A:SER98
|
2.8
|
19.9
|
1.0
|
O
|
A:GLU95
|
2.9
|
26.9
|
1.0
|
O
|
A:SER94
|
3.1
|
28.5
|
1.0
|
CB
|
A:SER98
|
3.5
|
19.7
|
1.0
|
C
|
A:SER94
|
3.5
|
30.2
|
1.0
|
CG
|
A:ASN92
|
3.5
|
29.9
|
1.0
|
CE1
|
A:HIS112
|
3.6
|
18.9
|
1.0
|
OH
|
A:TYR100
|
3.6
|
26.3
|
1.0
|
O2
|
A:PO4301
|
3.7
|
40.3
|
1.0
|
ND1
|
A:HIS112
|
3.7
|
17.4
|
1.0
|
C
|
A:GLU95
|
3.7
|
28.1
|
1.0
|
C
|
A:GLY96
|
3.7
|
25.4
|
1.0
|
NH2
|
A:ARG119
|
3.8
|
24.5
|
1.0
|
ND2
|
A:ASN92
|
3.9
|
32.1
|
1.0
|
CB
|
A:SER94
|
3.9
|
31.6
|
1.0
|
CA
|
A:SER94
|
4.1
|
32.0
|
1.0
|
N
|
A:SER94
|
4.1
|
33.2
|
1.0
|
N
|
A:GLU95
|
4.3
|
29.0
|
1.0
|
O
|
A:HOH767
|
4.3
|
25.6
|
1.0
|
N
|
A:GLY96
|
4.4
|
26.6
|
1.0
|
CA
|
A:GLY96
|
4.4
|
26.4
|
1.0
|
N
|
A:SER98
|
4.4
|
21.6
|
1.0
|
C
|
A:ASP97
|
4.5
|
22.3
|
1.0
|
OE2
|
A:GLU110
|
4.6
|
21.2
|
1.0
|
CA
|
A:SER98
|
4.6
|
20.2
|
1.0
|
CA
|
A:GLU95
|
4.6
|
28.0
|
1.0
|
O
|
A:ASP97
|
4.7
|
19.1
|
1.0
|
NE2
|
A:HIS112
|
4.8
|
17.6
|
1.0
|
CZ
|
A:TYR100
|
4.8
|
19.9
|
1.0
|
N
|
A:ASP97
|
4.8
|
24.0
|
1.0
|
P
|
A:PO4301
|
4.8
|
37.3
|
1.0
|
O4
|
A:PO4301
|
4.8
|
35.3
|
1.0
|
CB
|
A:ASN92
|
4.9
|
28.0
|
1.0
|
CZ
|
A:ARG119
|
5.0
|
30.6
|
1.0
|
|
Thallium binding site 3 out
of 6 in 1lqo
Go back to
Thallium Binding Sites List in 1lqo
Thallium binding site 3 out
of 6 in the Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 3 of Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl701
b:53.4
occ:0.16
|
OG
|
B:SER44
|
3.4
|
31.5
|
1.0
|
OG
|
A:SER44
|
3.5
|
32.7
|
1.0
|
CB
|
B:SER44
|
4.1
|
27.4
|
1.0
|
CB
|
A:SER44
|
4.2
|
26.9
|
1.0
|
|
Thallium binding site 4 out
of 6 in 1lqo
Go back to
Thallium Binding Sites List in 1lqo
Thallium binding site 4 out
of 6 in the Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 4 of Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl502
b:33.7
occ:0.70
|
OG
|
B:SER94
|
2.4
|
30.2
|
1.0
|
OD1
|
B:ASN92
|
2.6
|
32.8
|
1.0
|
O
|
B:SER94
|
2.8
|
31.4
|
1.0
|
O
|
B:GLY96
|
2.8
|
32.8
|
1.0
|
OG
|
B:SER98
|
2.9
|
18.5
|
1.0
|
O
|
B:GLU95
|
3.0
|
28.4
|
1.0
|
C
|
B:SER94
|
3.4
|
34.1
|
1.0
|
CB
|
B:SER98
|
3.4
|
23.7
|
1.0
|
OH
|
B:TYR100
|
3.5
|
32.6
|
1.0
|
CG
|
B:ASN92
|
3.6
|
32.6
|
1.0
|
O4
|
B:PO4201
|
3.6
|
39.3
|
1.0
|
CB
|
B:SER94
|
3.7
|
34.6
|
1.0
|
C
|
B:GLU95
|
3.8
|
32.1
|
1.0
|
CE1
|
B:HIS112
|
3.8
|
23.6
|
1.0
|
NH2
|
B:ARG119
|
3.9
|
32.3
|
1.0
|
ND1
|
B:HIS112
|
3.9
|
23.6
|
1.0
|
ND2
|
B:ASN92
|
4.0
|
32.1
|
1.0
|
CA
|
B:SER94
|
4.0
|
33.8
|
1.0
|
C
|
B:GLY96
|
4.0
|
30.5
|
1.0
|
O2
|
B:PO4201
|
4.0
|
47.7
|
1.0
|
N
|
B:SER94
|
4.1
|
35.5
|
1.0
|
N
|
B:GLU95
|
4.2
|
33.0
|
1.0
|
O
|
B:HOH755
|
4.4
|
31.6
|
1.0
|
N
|
B:SER98
|
4.5
|
25.1
|
1.0
|
P
|
B:PO4201
|
4.5
|
41.9
|
1.0
|
N
|
B:GLY96
|
4.6
|
30.5
|
1.0
|
C
|
B:ASP97
|
4.6
|
25.9
|
1.0
|
CA
|
B:SER98
|
4.6
|
23.1
|
1.0
|
OE2
|
B:GLU110
|
4.6
|
20.2
|
1.0
|
CA
|
B:GLU95
|
4.6
|
32.4
|
1.0
|
CZ
|
B:TYR100
|
4.7
|
25.1
|
1.0
|
O
|
B:ASP97
|
4.7
|
24.1
|
1.0
|
CA
|
B:GLY96
|
4.7
|
31.2
|
1.0
|
CB
|
B:ASN92
|
4.9
|
30.9
|
1.0
|
NE2
|
B:HIS112
|
5.0
|
21.1
|
1.0
|
|
Thallium binding site 5 out
of 6 in 1lqo
Go back to
Thallium Binding Sites List in 1lqo
Thallium binding site 5 out
of 6 in the Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 5 of Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl601
b:28.4
occ:0.50
|
O1
|
A:PO4301
|
2.0
|
41.2
|
1.0
|
O1
|
A:PO4302
|
2.7
|
43.5
|
1.0
|
O2
|
A:PO4302
|
2.7
|
30.0
|
1.0
|
NE2
|
B:HIS7
|
3.1
|
22.8
|
1.0
|
CZ2
|
B:TRP46
|
3.2
|
26.4
|
1.0
|
P
|
A:PO4301
|
3.2
|
37.3
|
1.0
|
P
|
A:PO4302
|
3.3
|
36.5
|
1.0
|
CD2
|
B:HIS7
|
3.4
|
24.9
|
1.0
|
CH2
|
B:TRP46
|
3.4
|
22.7
|
1.0
|
CE1
|
B:HIS7
|
3.5
|
19.7
|
1.0
|
SG
|
B:CYS48
|
3.6
|
29.8
|
0.5
|
O2
|
A:PO4301
|
3.6
|
40.3
|
1.0
|
NH1
|
A:ARG119
|
3.7
|
28.4
|
1.0
|
MN
|
A:MN402
|
3.8
|
26.5
|
1.0
|
CG
|
B:HIS7
|
3.9
|
19.5
|
1.0
|
ND1
|
B:HIS7
|
3.9
|
19.1
|
1.0
|
CE2
|
B:TRP46
|
4.0
|
24.4
|
1.0
|
O4
|
A:PO4302
|
4.1
|
42.9
|
1.0
|
O
|
A:HOH749
|
4.2
|
35.1
|
1.0
|
O3
|
A:PO4301
|
4.2
|
31.1
|
1.0
|
O4
|
A:PO4301
|
4.2
|
35.3
|
1.0
|
CZ3
|
B:TRP46
|
4.2
|
22.6
|
1.0
|
CE2
|
B:TYR39
|
4.4
|
28.7
|
1.0
|
O3
|
A:PO4302
|
4.5
|
42.5
|
1.0
|
OG1
|
B:THR9
|
4.5
|
19.4
|
1.0
|
CZ
|
A:ARG119
|
4.6
|
30.6
|
1.0
|
OH
|
B:TYR39
|
4.6
|
29.8
|
1.0
|
NE1
|
B:TRP46
|
4.6
|
23.5
|
1.0
|
CB
|
B:CYS48
|
4.7
|
23.5
|
0.5
|
CB
|
B:CYS48
|
4.7
|
23.1
|
0.5
|
SG
|
B:CYS48
|
4.7
|
32.3
|
0.5
|
CD2
|
B:TRP46
|
4.7
|
23.1
|
1.0
|
NH2
|
A:ARG119
|
4.8
|
24.5
|
1.0
|
CZ
|
B:TYR39
|
4.8
|
29.5
|
1.0
|
CB
|
B:HIS7
|
4.8
|
18.6
|
1.0
|
CE3
|
B:TRP46
|
4.8
|
22.3
|
1.0
|
|
Thallium binding site 6 out
of 6 in 1lqo
Go back to
Thallium Binding Sites List in 1lqo
Thallium binding site 6 out
of 6 in the Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 6 of Crystal Strutcure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Thallium Cations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl702
b:46.1
occ:0.25
|
CZ
|
B:TYR62
|
3.0
|
47.1
|
1.0
|
CE2
|
B:TYR62
|
3.0
|
46.7
|
1.0
|
CE1
|
B:TYR62
|
3.1
|
41.7
|
1.0
|
OG
|
A:SER50
|
3.1
|
29.1
|
1.0
|
CD2
|
B:TYR62
|
3.1
|
43.2
|
1.0
|
CD1
|
B:TYR62
|
3.2
|
41.4
|
1.0
|
CG
|
B:TYR62
|
3.3
|
35.0
|
1.0
|
O
|
A:HOH759
|
3.5
|
42.1
|
1.0
|
OH
|
B:TYR62
|
3.7
|
53.5
|
1.0
|
CB
|
B:TYR62
|
4.3
|
27.3
|
1.0
|
CB
|
A:SER50
|
4.5
|
27.6
|
1.0
|
|
Reference:
C.L.Rife,
R.E.Pharris,
M.E.Newcomer,
R.N.Armstrong.
Crystal Structure of A Genomically Encoded Fosfomycin Resistance Protein (Fosa) at 1.19 A Resolution By Mad Phasing Off the L-III Edge of Tl(+) J.Am.Chem.Soc. V. 124 11001 2002.
ISSN: ISSN 0002-7863
PubMed: 12224946
DOI: 10.1021/JA026879V
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