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Caesium in PDB 6dg3: Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium

Protein crystallography data

The structure of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium, PDB code: 6dg3 was solved by M.Fellner, R.P.Hausinger, J.Hu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.91 / 2.94
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 152.371, 154.161, 328.864, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 27.4

Caesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Caesium atom in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium (pdb code 6dg3). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 12 binding sites of Caesium where determined in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium, PDB code: 6dg3:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Caesium binding site 1 out of 12 in 6dg3

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Caesium binding site 1 out of 12 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs301

b:0.6
occ:1.00
 O A:PHE57 3.1 52.1 1.0
O A:SER54 3.3 32.0 1.0
OD1 A:ASP59 3.5 75.8 1.0
O A:HOH401 3.7 25.6 1.0
OD1 A:ASN53 3.9 53.2 1.0
CG A:ASP59 3.9 67.7 1.0
N A:ASP59 4.0 44.9 1.0
C A:SER54 4.2 32.3 1.0
C A:THR58 4.3 34.5 1.0
C A:PHE57 4.3 45.5 1.0
OD2 A:ASP59 4.4 72.2 1.0
CA A:ASP59 4.4 46.6 1.0
CA A:GLU55 4.6 44.8 1.0
CB A:ASP59 4.7 52.4 1.0
CA A:THR58 4.7 33.5 1.0
O A:THR58 4.7 31.5 1.0
CG A:ASN53 4.8 51.8 1.0
N A:GLU55 4.8 47.0 1.0
N A:SER54 4.9 33.4 1.0
N A:THR58 5.0 39.9 1.0

Caesium binding site 2 out of 12 in 6dg3

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Caesium binding site 2 out of 12 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs301

b:0.6
occ:0.94
 O B:SER54 3.3 75.0 1.0
O B:PHE57 3.6 54.2 1.0
OD2 B:ASP59 3.7 65.4 1.0
O B:HOH401 3.7 56.4 1.0
OD1 B:ASP59 3.8 75.2 1.0
CG B:ASP59 3.8 69.8 1.0
ND2 B:ASN53 4.0 70.5 1.0
C B:SER54 4.1 65.8 1.0
CA B:GLU55 4.3 52.4 1.0
N B:GLU55 4.6 52.4 1.0
N B:ASP59 4.6 69.9 1.0
CB B:ASP59 4.7 67.6 1.0
O B:THR58 4.7 71.7 1.0
C B:GLU55 4.7 52.8 1.0
C B:THR58 4.7 61.2 1.0
CA B:ASP59 4.8 70.8 1.0
O B:GLU55 4.8 53.1 1.0
C B:PHE57 4.8 54.7 1.0
N B:SER54 4.9 52.9 1.0

Caesium binding site 3 out of 12 in 6dg3

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Caesium binding site 3 out of 12 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cs301

b:79.0
occ:0.74
 O C:SER54 3.0 41.2 1.0
O C:PHE57 3.1 32.3 1.0
O C:HOH401 3.2 38.8 1.0
OD2 C:ASP59 3.3 75.5 1.0
CG C:ASP59 3.7 71.8 1.0
OD1 C:ASN53 3.8 45.3 1.0
OD1 C:ASP59 3.9 71.2 1.0
C C:SER54 4.0 35.7 1.0
N C:ASP59 4.0 38.5 1.0
C C:PHE57 4.3 27.5 1.0
C C:THR58 4.3 38.6 1.0
CA C:GLU55 4.3 33.0 1.0
CA C:ASP59 4.4 37.5 1.0
CG C:ASN53 4.6 42.4 1.0
N C:GLU55 4.6 33.0 1.0
CB C:ASP59 4.7 60.1 1.0
ND2 C:ASN53 4.7 28.8 1.0
CA C:THR58 4.7 41.9 1.0
N C:SER54 4.8 27.8 1.0
C C:GLU55 4.8 43.6 1.0
O C:THR58 4.8 38.3 1.0

Caesium binding site 4 out of 12 in 6dg3

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Caesium binding site 4 out of 12 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cs301

b:87.1
occ:1.00
 O D:SER54 3.0 31.7 1.0
O D:PHE57 3.2 43.2 1.0
OD1 D:ASP59 3.4 59.2 1.0
OD1 D:ASN53 3.5 68.8 1.0
C D:SER54 4.1 44.6 1.0
CG D:ASP59 4.1 62.6 1.0
N D:ASP59 4.3 62.5 1.0
C D:PHE57 4.4 31.1 1.0
CG D:ASN53 4.4 61.6 1.0
C D:THR58 4.5 66.2 1.0
CA D:ASP59 4.6 51.3 1.0
CA D:GLU55 4.6 44.9 1.0
OD2 D:ASP59 4.6 54.9 1.0
N D:SER54 4.7 33.6 1.0
ND2 D:ASN53 4.7 64.0 1.0
N D:GLU55 4.8 45.5 1.0
O D:THR58 4.9 76.3 1.0
CB D:ASP59 4.9 60.0 1.0

Caesium binding site 5 out of 12 in 6dg3

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Caesium binding site 5 out of 12 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cs301

b:0.5
occ:0.91
 O E:SER54 3.2 63.6 1.0
O E:PHE57 3.3 58.4 1.0
O E:HOH401 3.3 58.5 1.0
OD1 E:ASP59 3.6 70.3 1.0
CG E:ASP59 4.0 68.2 1.0
OD2 E:ASP59 4.2 53.6 1.0
C E:SER54 4.2 52.2 1.0
CA E:GLU55 4.3 44.7 1.0
OD1 E:ASN53 4.4 87.9 1.0
N E:ASP59 4.5 65.5 1.0
C E:PHE57 4.5 45.7 1.0
N E:GLU55 4.7 45.4 1.0
C E:GLU55 4.7 53.5 1.0
C E:THR58 4.8 58.4 1.0
O E:GLU55 4.9 54.4 1.0
CA E:THR58 4.9 51.1 1.0
CA E:ASP59 5.0 65.3 1.0

Caesium binding site 6 out of 12 in 6dg3

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Caesium binding site 6 out of 12 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cs301

b:74.5
occ:0.87
 O F:GLU141 3.0 43.2 1.0
O F:HOH401 3.3 9.7 1.0
O F:ALA144 3.3 55.8 1.0
N F:GLU141 3.4 68.3 1.0
C F:GLU141 3.5 50.8 1.0
O F:HOH402 3.6 25.0 1.0
OG F:SER146 3.9 23.1 1.0
CA F:GLU141 3.9 62.9 1.0
CB F:SER140 4.0 67.7 1.0
C F:ALA144 4.1 47.7 1.0
N F:SER146 4.2 22.0 1.0
CB F:GLU141 4.3 69.2 1.0
CB F:SER146 4.4 22.5 1.0
C F:SER140 4.4 77.2 1.0
OG F:SER140 4.4 61.0 1.0
N F:ALA142 4.5 53.8 1.0
CA F:SER140 4.5 76.3 1.0
CB F:ALA144 4.7 24.9 1.0
NE2 F:GLN149 4.7 63.5 1.0
N F:ARG145 4.8 37.3 1.0
CA F:ALA144 4.8 35.7 1.0
CA F:ALA142 4.8 58.6 1.0
O L:VAL76 4.8 25.2 1.0
CA F:ARG145 4.8 26.4 1.0
N F:ALA144 4.8 37.0 1.0
C F:ARG145 4.9 21.9 1.0
CA F:SER146 5.0 20.9 1.0

Caesium binding site 7 out of 12 in 6dg3

Go back to Caesium Binding Sites List in 6dg3
Caesium binding site 7 out of 12 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cs301

b:88.1
occ:1.00
 O G:PHE57 2.9 43.6 1.0
O G:SER54 3.1 29.5 1.0
OD1 G:ASP59 3.1 65.7 1.0
CG G:ASP59 3.6 56.2 1.0
ND2 G:ASN53 3.7 45.1 1.0
OD2 G:ASP59 3.8 64.0 1.0
OD1 G:ASN53 3.9 43.3 1.0
N G:ASP59 4.1 29.2 1.0
C G:PHE57 4.1 27.3 1.0
CG G:ASN53 4.2 44.0 1.0
C G:SER54 4.2 29.8 1.0
CE G:MET197 4.3 57.5 1.0
C G:THR58 4.3 28.0 1.0
CA G:ASP59 4.6 33.9 1.0
CA G:THR58 4.6 28.1 1.0
CA G:GLU55 4.7 32.0 1.0
CB G:ASP59 4.7 41.3 1.0
O G:THR58 4.9 36.5 1.0
N G:THR58 4.9 27.1 1.0
N G:GLU55 4.9 31.1 1.0
C G:GLU55 5.0 44.3 1.0
N G:SER54 5.0 35.7 1.0

Caesium binding site 8 out of 12 in 6dg3

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Caesium binding site 8 out of 12 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cs301

b:99.9
occ:1.00
 O H:SER54 3.1 57.5 1.0
O H:PHE57 3.2 55.0 1.0
OD1 H:ASN53 3.5 44.1 1.0
OD1 H:ASP59 3.6 78.9 1.0
OD2 H:ASP59 3.7 78.4 1.0
CG H:ASP59 3.8 75.5 1.0
C H:SER54 3.9 48.8 1.0
N H:ASP59 4.1 55.2 1.0
CA H:GLU55 4.4 50.1 1.0
CG H:ASN53 4.4 45.0 1.0
C H:PHE57 4.4 47.0 1.0
C H:THR58 4.4 57.3 1.0
CA H:ASP59 4.5 36.5 1.0
N H:GLU55 4.5 55.0 1.0
ND2 H:ASN53 4.7 45.4 1.0
N H:SER54 4.7 41.1 1.0
CB H:ASP59 4.7 56.0 1.0
O H:THR58 4.9 54.2 1.0
CA H:THR58 4.9 48.2 1.0
CA H:SER54 4.9 43.3 1.0

Caesium binding site 9 out of 12 in 6dg3

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Caesium binding site 9 out of 12 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 9 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cs301

b:98.2
occ:0.95
 OD1 I:ASP59 3.0 59.2 1.0
O I:PHE57 3.0 47.3 1.0
O I:SER54 3.1 50.6 1.0
CG I:ASP59 3.8 54.5 1.0
OD1 I:ASN53 3.8 65.9 1.0
C I:SER54 4.0 28.1 1.0
N I:ASP59 4.1 44.4 1.0
OD2 I:ASP59 4.2 59.1 1.0
C I:PHE57 4.2 36.5 1.0
C I:THR58 4.4 44.8 1.0
CA I:GLU55 4.5 36.9 1.0
CG I:ASN53 4.6 62.0 1.0
N I:GLU55 4.7 28.4 1.0
CA I:ASP59 4.7 43.0 1.0
CA I:THR58 4.7 37.9 1.0
ND2 I:ASN53 4.8 73.4 1.0
CB I:ASP59 4.8 48.9 1.0
N I:SER54 4.9 36.9 1.0
O I:THR58 4.9 52.2 1.0
C I:GLU55 4.9 34.8 1.0
N I:THR58 5.0 35.8 1.0

Caesium binding site 10 out of 12 in 6dg3

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Caesium binding site 10 out of 12 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 10 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase, in Complex with Caesium within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cs301

b:0.1
occ:1.00
 O J:GLU141 2.9 45.7 1.0
O J:ALA144 3.2 40.2 1.0
C J:GLU141 3.7 40.9 1.0
N J:GLU141 3.8 53.3 1.0
OG J:SER146 3.9 19.2 1.0
OG J:SER140 4.1 41.4 1.0
C J:ALA144 4.1 19.9 1.0
CA J:GLU141 4.3 52.9 1.0
N J:SER146 4.4 28.6 1.0
CB J:SER146 4.5 30.6 1.0
N J:ALA142 4.6 31.8 1.0
CA J:ALA142 4.7 32.0 1.0
CA J:ARG145 4.8 18.2 1.0
N J:ARG145 4.8 18.2 1.0
O C:VAL76 4.8 50.0 1.0
C J:SER140 4.8 60.0 1.0
O J:ALA142 4.9 48.7 1.0
CA J:SER140 4.9 64.0 1.0
CB J:GLU141 4.9 53.7 1.0
CA J:ALA144 5.0 20.2 1.0
C J:ARG145 5.0 17.0 1.0

Reference:

M.Fellner, M.Fellner, R.P.Hausinger, J.Hu. N/A N/A.
Page generated: Tue Jul 30 20:50:38 2024

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