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Chlorine in PDB 6nru: Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri

Enzymatic activity of Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri

All present enzymatic activity of Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri:
3.1.3.73;

Protein crystallography data

The structure of Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri, PDB code: 6nru was solved by Y.Kim, M.Gu, S.Shatsman, A.Joachimiak, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.39 / 2.51
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 52.518, 308.038, 97.167, 90.00, 90.10, 90.00
R / Rfree (%) 17.9 / 21.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri (pdb code 6nru). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri, PDB code: 6nru:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6nru

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Chlorine binding site 1 out of 6 in the Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:53.4
occ:1.00
 N D:THR25 3.0 59.3 1.0
NE D:ARG57 3.1 63.0 1.0
N D:ARG57 3.3 67.8 1.0
CA D:PRO24 3.3 62.7 1.0
O D:THR25 3.3 54.9 1.0
CB D:ARG57 3.5 65.5 1.0
NH2 D:ARG57 3.6 64.8 1.0
C D:PRO24 3.7 61.0 1.0
CZ D:ARG57 3.8 62.3 1.0
N D:GLU56 3.9 71.7 1.0
CA D:ARG57 4.0 66.3 1.0
CG D:ARG57 4.1 51.0 1.0
CB D:PRO24 4.1 63.4 1.0
CG2 D:THR25 4.1 59.8 1.0
CA D:THR25 4.1 58.9 1.0
C D:THR25 4.1 57.5 1.0
CD D:ARG57 4.1 58.9 1.0
O D:ALA23 4.1 64.2 1.0
C D:GLU56 4.2 68.0 1.0
CB D:GLU56 4.4 78.2 1.0
CA D:GLU56 4.4 71.7 1.0
N D:PRO24 4.4 64.5 1.0
CB D:LEU55 4.5 73.0 1.0
C D:LEU55 4.6 79.1 1.0
C D:ALA23 4.7 65.3 1.0
CB D:THR25 4.7 59.3 1.0
O D:PRO24 4.9 61.5 1.0
CA D:LEU55 4.9 77.7 1.0

Chlorine binding site 2 out of 6 in 6nru

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Chlorine binding site 2 out of 6 in the Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl303

b:34.0
occ:1.00
 N F:ARG57 3.0 44.7 1.0
N F:GLU56 3.4 43.8 1.0
O F:HOH442 3.5 36.2 1.0
N F:THR25 3.5 37.1 1.0
CB F:ARG57 3.6 41.5 1.0
CG F:ARG57 3.6 40.4 1.0
NH2 F:ARG57 3.6 49.8 1.0
CA F:PRO24 3.6 44.6 1.0
O F:THR25 3.6 30.4 1.0
C F:GLU56 3.8 43.5 1.0
CA F:ARG57 3.8 42.2 1.0
CA F:GLU56 3.9 44.5 1.0
CB F:GLU56 3.9 49.0 1.0
CB F:PRO24 4.0 46.2 1.0
CD F:ARG57 4.1 42.6 1.0
CD1 F:LEU55 4.1 39.7 1.0
C F:LEU55 4.1 41.3 1.0
C F:PRO24 4.1 41.8 1.0
C F:THR25 4.3 32.5 1.0
CB F:LEU55 4.4 35.4 1.0
CA F:LEU55 4.5 39.8 1.0
CZ F:ARG57 4.5 47.0 1.0
CA F:THR25 4.6 34.4 1.0
NE F:ARG57 4.7 44.3 1.0
CG F:LEU55 4.8 35.9 1.0
N F:PRO24 4.9 47.1 1.0
O F:LEU55 4.9 41.5 1.0
O F:GLU56 4.9 43.5 1.0
O F:ALA23 5.0 52.1 1.0

Chlorine binding site 3 out of 6 in 6nru

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Chlorine binding site 3 out of 6 in the Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl303

b:59.4
occ:1.00
 NH1 I:ARG57 3.2 60.0 1.0
O I:HOH439 3.3 44.7 1.0
N I:ARG57 3.4 59.6 1.0
CA I:PRO24 3.4 41.1 1.0
N I:THR25 3.4 43.4 1.0
CG I:ARG57 3.6 58.5 1.0
N I:GLU56 3.6 53.4 1.0
O I:THR25 3.8 43.6 1.0
CB I:ARG57 3.8 59.8 1.0
C I:PRO24 4.0 42.5 1.0
CD I:ARG57 4.0 60.2 1.0
CB I:PRO24 4.0 41.7 1.0
O I:HOH453 4.1 37.4 1.0
CB I:GLU56 4.1 57.9 1.0
CZ I:ARG57 4.1 59.0 1.0
CB I:LEU55 4.2 50.1 1.0
CA I:GLU56 4.2 55.3 1.0
CA I:ARG57 4.2 59.4 1.0
C I:GLU56 4.3 57.5 1.0
O I:ALA23 4.3 43.0 1.0
C I:LEU55 4.3 50.1 1.0
NE I:ARG57 4.5 59.7 1.0
N I:PRO24 4.5 41.4 1.0
C I:THR25 4.5 45.6 1.0
CA I:LEU55 4.6 50.0 1.0
CA I:THR25 4.6 45.2 1.0
CG2 I:THR25 4.6 44.8 1.0
C I:ALA23 4.8 41.9 1.0

Chlorine binding site 4 out of 6 in 6nru

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Chlorine binding site 4 out of 6 in the Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl303

b:42.6
occ:1.00
 N J:ARG57 3.3 61.0 1.0
NH2 J:ARG57 3.4 49.5 1.0
CA J:PRO24 3.4 51.8 1.0
CG J:ARG57 3.4 51.9 1.0
N J:THR25 3.5 49.6 1.0
N J:GLU56 3.5 59.3 1.0
O J:THR25 3.6 48.1 1.0
CB J:ARG57 3.8 56.5 1.0
CD J:ARG57 3.8 48.4 1.0
C J:PRO24 4.0 52.4 1.0
CB J:PRO24 4.1 53.4 1.0
CB J:GLU56 4.1 65.8 1.0
CA J:GLU56 4.1 62.5 1.0
CB J:LEU55 4.1 52.5 1.0
CA J:ARG57 4.1 59.6 1.0
O J:ALA23 4.1 54.4 1.0
C J:GLU56 4.1 62.6 1.0
C J:LEU55 4.2 57.5 1.0
CZ J:ARG57 4.2 45.8 1.0
NE J:ARG57 4.4 44.8 1.0
C J:THR25 4.5 49.3 1.0
N J:PRO24 4.5 53.5 1.0
CA J:LEU55 4.5 55.5 1.0
CA J:THR25 4.6 50.5 1.0
C J:ALA23 4.7 55.5 1.0
CG2 J:THR25 4.7 50.1 1.0
O J:LEU55 5.0 58.1 1.0
CG J:GLU56 5.0 69.4 1.0

Chlorine binding site 5 out of 6 in 6nru

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Chlorine binding site 5 out of 6 in the Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl303

b:35.8
occ:1.00
 N K:THR25 3.3 59.3 1.0
N K:ARG57 3.3 47.1 1.0
CG K:ARG57 3.3 43.6 1.0
O K:THR25 3.3 54.2 1.0
NE K:ARG57 3.4 49.1 1.0
CB K:ARG57 3.5 45.1 1.0
CD K:ARG57 3.6 46.6 1.0
CA K:PRO24 3.6 71.6 1.0
N K:GLU56 3.8 44.8 1.0
C K:PRO24 3.9 71.0 1.0
CA K:ARG57 4.0 45.8 1.0
C K:THR25 4.2 57.0 1.0
O K:ALA23 4.2 60.3 1.0
CG2 K:THR25 4.2 56.6 1.0
C K:GLU56 4.2 46.4 1.0
O K:HOH444 4.2 28.9 1.0
CA K:THR25 4.3 59.8 1.0
CB K:LEU55 4.3 41.5 1.0
CB K:PRO24 4.3 54.4 1.0
CA K:GLU56 4.3 46.4 1.0
CB K:GLU56 4.4 51.5 1.0
C K:LEU55 4.4 42.8 1.0
CZ K:ARG57 4.6 50.9 1.0
N K:PRO24 4.7 70.6 1.0
CA K:LEU55 4.8 43.8 1.0
C K:ALA23 4.9 64.9 1.0
CB K:THR25 4.9 60.0 1.0
CD2 K:LEU55 4.9 42.6 1.0
NH2 K:ARG57 5.0 51.9 1.0

Chlorine binding site 6 out of 6 in 6nru

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Chlorine binding site 6 out of 6 in the Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl303

b:50.3
occ:1.00
 NH2 L:ARG57 2.8 34.8 1.0
N L:THR25 3.1 41.0 1.0
O L:THR25 3.3 41.1 1.0
CA L:PRO24 3.3 39.1 1.0
N L:ARG57 3.4 42.3 1.0
CG L:ARG57 3.5 38.3 1.0
CB L:ARG57 3.5 40.2 1.0
O L:HOH471 3.7 46.1 1.0
C L:PRO24 3.8 40.8 1.0
O F:HOH468 3.8 30.6 1.0
CB L:PRO24 3.8 38.0 1.0
CD L:ARG57 3.9 38.5 1.0
N L:GLU56 3.9 47.7 1.0
CZ L:ARG57 4.0 33.7 1.0
C L:THR25 4.0 41.9 1.0
CA L:ARG57 4.1 40.8 1.0
CD2 L:LEU55 4.2 44.9 1.0
CA L:THR25 4.2 41.8 1.0
CB L:LEU55 4.3 41.6 1.0
NE L:ARG57 4.3 38.5 1.0
C L:GLU56 4.4 46.4 1.0
C L:LEU55 4.5 47.0 1.0
CA L:GLU56 4.5 49.7 1.0
O L:ALA23 4.5 28.8 1.0
CB L:GLU56 4.5 54.2 1.0
N L:PRO24 4.5 39.5 1.0
CG2 L:THR25 4.7 38.9 1.0
CA L:LEU55 4.7 44.1 1.0
CG L:LEU55 4.9 42.6 1.0
C L:ALA23 5.0 39.9 1.0
O L:PRO24 5.0 41.4 1.0

Reference:

Y.Kim, M.Gu, S.Shatsman, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of the Alpha-Ribazole Phosphatase From Shigella Flexneri To Be Published.
Page generated: Mon Jul 29 12:10:50 2024

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