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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:

Manganese (Mn) 2 atoms

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

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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

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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

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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

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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

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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
Page generated: Fri Oct 11 09:19:41 2024

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