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Chlorine in PDB 1dw9: Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site

Enzymatic activity of Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site

All present enzymatic activity of Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site:
4.3.99.1;

Protein crystallography data

The structure of Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site, PDB code: 1dw9 was solved by M.A.Walsh, Z.Otwinowski, A.Perrakis, P.M.Anderson, A.Joachimiak, Midwestcenter For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.65
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 76.340, 81.030, 82.300, 70.30, 72.20, 66.40
R / Rfree (%) 15 / 18.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site (pdb code 1dw9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site, PDB code: 1dw9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 1dw9

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Chlorine binding site 1 out of 10 in the Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1157

b:16.2
occ:1.00
O A:HOH2147 2.7 34.8 1.0
NH2 I:ARG96 3.1 10.4 1.0
NE D:ARG96 3.3 11.1 1.0
OG A:SER122 3.3 11.3 1.0
N A:ALA123 3.3 8.2 1.0
CD D:ARG96 3.6 9.4 1.0
CD1 A:ILE120 3.6 14.3 1.0
CA A:SER122 3.7 8.1 1.0
CG1 A:ILE124 3.8 11.8 1.0
N A:ILE124 4.0 10.1 1.0
C A:SER122 4.0 9.2 1.0
CB A:SER122 4.1 9.7 1.0
CD1 J:ILE120 4.1 14.8 1.0
CZ I:ARG96 4.1 10.0 1.0
CL J:CL1157 4.1 15.4 1.0
NE I:ARG96 4.2 10.5 1.0
CB A:ILE124 4.2 9.2 1.0
O J:HOH2151 4.3 39.3 1.0
CA A:ALA123 4.3 8.8 1.0
CZ D:ARG96 4.4 11.2 1.0
C A:ALA123 4.5 10.3 1.0
CG D:ARG96 4.5 7.5 1.0
CB A:ALA123 4.5 10.5 1.0
NH2 D:ARG96 4.7 10.7 1.0
CA A:ILE124 4.7 9.7 1.0
CD1 A:LEU151 4.9 24.2 1.0
N A:SER122 4.9 7.8 1.0
OE2 D:GLU99 5.0 12.6 1.0

Chlorine binding site 2 out of 10 in 1dw9

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Chlorine binding site 2 out of 10 in the Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1157

b:15.5
occ:1.00
NH2 A:ARG96 3.1 10.5 1.0
OG B:SER122 3.2 10.6 1.0
NE F:ARG96 3.2 10.4 1.0
N B:ALA123 3.3 9.1 1.0
CD F:ARG96 3.6 8.9 1.0
CD1 B:ILE120 3.7 13.6 1.0
CA B:SER122 3.7 9.4 1.0
CG1 B:ILE124 3.9 11.7 1.0
CB B:SER122 4.0 9.1 1.0
N B:ILE124 4.0 8.7 1.0
C B:SER122 4.0 9.7 1.0
CL D:CL1157 4.1 15.6 1.0
CD1 D:ILE120 4.1 14.4 1.0
CZ A:ARG96 4.1 11.7 1.0
NE A:ARG96 4.1 9.2 1.0
CB B:ILE124 4.2 8.9 1.0
CA B:ALA123 4.2 7.9 1.0
CZ F:ARG96 4.3 9.3 1.0
CB B:ALA123 4.4 9.5 1.0
CG F:ARG96 4.5 8.5 1.0
C B:ALA123 4.5 10.5 1.0
NH2 F:ARG96 4.6 10.0 1.0
CA B:ILE124 4.8 8.9 1.0
N B:SER122 4.9 9.7 1.0
OE2 F:GLU99 4.9 11.3 1.0
CD1 D:LEU151 5.0 24.0 1.0

Chlorine binding site 3 out of 10 in 1dw9

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Chlorine binding site 3 out of 10 in the Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1157

b:14.8
occ:1.00
O C:HOH2160 2.7 38.7 1.0
NH2 J:ARG96 3.1 10.8 1.0
NE H:ARG96 3.3 8.4 1.0
OG C:SER122 3.3 12.1 1.0
N C:ALA123 3.3 8.5 1.0
CD H:ARG96 3.6 8.8 1.0
CA C:SER122 3.7 9.3 1.0
CD1 C:ILE120 3.7 13.3 1.0
CG1 C:ILE124 3.9 11.2 1.0
CB C:SER122 4.0 10.6 1.0
N C:ILE124 4.0 9.1 1.0
C C:SER122 4.0 9.2 1.0
CZ J:ARG96 4.0 9.9 1.0
CL I:CL1157 4.1 15.3 1.0
CD1 I:ILE120 4.1 14.0 1.0
NE J:ARG96 4.1 9.3 1.0
CA C:ALA123 4.2 9.3 1.0
CB C:ILE124 4.2 11.9 1.0
CZ H:ARG96 4.4 10.2 1.0
CB C:ALA123 4.4 9.7 1.0
C C:ALA123 4.5 8.9 1.0
CG H:ARG96 4.5 8.2 1.0
NH2 H:ARG96 4.7 10.6 1.0
CD1 C:LEU151 4.7 25.4 1.0
CA C:ILE124 4.7 9.8 1.0
N C:SER122 4.8 8.9 1.0
OE2 H:GLU99 4.9 13.1 1.0

Chlorine binding site 4 out of 10 in 1dw9

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Chlorine binding site 4 out of 10 in the Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1157

b:15.6
occ:1.00
NH2 F:ARG96 3.1 10.0 1.0
NE A:ARG96 3.2 9.2 1.0
N D:ALA123 3.2 9.8 1.0
OG D:SER122 3.3 13.1 1.0
CD A:ARG96 3.6 8.6 1.0
CA D:SER122 3.6 10.2 1.0
CD1 D:ILE120 3.7 14.4 1.0
CB D:SER122 3.9 11.1 1.0
N D:ILE124 3.9 10.6 1.0
C D:SER122 4.0 10.6 1.0
CG1 D:ILE124 4.0 12.4 1.0
CZ F:ARG96 4.0 9.3 1.0
CL B:CL1157 4.1 15.5 1.0
NE F:ARG96 4.1 10.4 1.0
CD1 B:ILE120 4.1 13.6 1.0
CA D:ALA123 4.2 9.4 1.0
CB D:ILE124 4.2 10.1 1.0
CZ A:ARG96 4.4 11.7 1.0
C D:ALA123 4.4 10.9 1.0
CB D:ALA123 4.4 10.3 1.0
CG A:ARG96 4.5 8.6 1.0
NH2 A:ARG96 4.6 10.5 1.0
CA D:ILE124 4.7 10.5 1.0
CD1 D:LEU151 4.7 24.0 1.0
CD1 B:LEU151 4.9 26.1 1.0
N D:SER122 4.9 9.4 1.0
OE2 A:GLU99 5.0 13.8 1.0

Chlorine binding site 5 out of 10 in 1dw9

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Chlorine binding site 5 out of 10 in the Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1157

b:17.7
occ:1.00
O E:HOH2137 2.8 42.9 1.0
NH2 B:ARG96 3.1 12.1 1.0
NE G:ARG96 3.2 10.0 1.0
N E:ALA123 3.4 11.4 1.0
OG E:SER122 3.4 14.9 1.0
CD G:ARG96 3.6 10.0 1.0
CD1 E:ILE120 3.7 17.2 1.0
CA E:SER122 3.7 10.0 1.0
CG1 E:ILE124 3.9 13.8 1.0
CZ B:ARG96 4.0 11.2 1.0
N E:ILE124 4.0 10.1 1.0
C E:SER122 4.1 10.9 1.0
CB E:SER122 4.1 12.2 1.0
CD1 F:ILE120 4.1 16.2 1.0
CL F:CL1157 4.1 17.2 1.0
NE B:ARG96 4.1 10.7 1.0
O F:HOH2126 4.2 40.8 1.0
CB E:ILE124 4.2 9.4 1.0
CA E:ALA123 4.3 11.3 1.0
CZ G:ARG96 4.3 12.4 1.0
CG G:ARG96 4.4 9.8 1.0
CB E:ALA123 4.4 11.5 1.0
C E:ALA123 4.5 12.1 1.0
NH2 G:ARG96 4.6 13.1 1.0
CD1 E:LEU151 4.7 26.3 1.0
CA E:ILE124 4.8 10.4 1.0
N E:SER122 4.9 9.9 1.0
OE2 G:GLU99 4.9 14.1 1.0

Chlorine binding site 6 out of 10 in 1dw9

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Chlorine binding site 6 out of 10 in the Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1157

b:17.2
occ:1.00
O F:HOH2126 2.7 40.8 1.0
NH2 G:ARG96 3.1 13.1 1.0
NE B:ARG96 3.2 10.7 1.0
N F:ALA123 3.3 11.5 1.0
OG F:SER122 3.3 11.3 1.0
CD B:ARG96 3.6 9.0 1.0
CD1 F:ILE120 3.6 16.2 1.0
CA F:SER122 3.7 10.1 1.0
CG1 F:ILE124 3.9 13.6 1.0
N F:ILE124 4.0 11.2 1.0
C F:SER122 4.0 11.3 1.0
CB F:SER122 4.0 10.6 1.0
CZ G:ARG96 4.1 12.4 1.0
CL E:CL1157 4.1 17.7 1.0
CD1 E:ILE120 4.2 17.2 1.0
CA F:ALA123 4.2 11.1 1.0
NE G:ARG96 4.2 10.0 1.0
CB F:ILE124 4.2 11.3 1.0
CZ B:ARG96 4.3 11.2 1.0
O E:HOH2137 4.3 42.9 1.0
CB F:ALA123 4.4 10.4 1.0
CG B:ARG96 4.4 9.8 1.0
C F:ALA123 4.4 12.1 1.0
NH2 B:ARG96 4.7 12.1 1.0
CA F:ILE124 4.7 13.2 1.0
CD1 F:LEU151 4.8 26.0 1.0
OE2 B:GLU99 4.8 13.9 1.0
N F:SER122 4.9 11.1 1.0
O F:ILE121 5.0 11.3 1.0

Chlorine binding site 7 out of 10 in 1dw9

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Chlorine binding site 7 out of 10 in the Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1157

b:15.3
occ:1.00
NH2 C:ARG96 3.1 9.2 1.0
NE E:ARG96 3.2 9.3 1.0
OG G:SER122 3.2 11.9 1.0
N G:ALA123 3.3 9.4 1.0
CD E:ARG96 3.6 9.2 1.0
CD1 G:ILE120 3.6 12.0 1.0
CA G:SER122 3.7 8.5 1.0
CG1 G:ILE124 3.9 14.6 1.0
N G:ILE124 4.0 9.4 1.0
CB G:SER122 4.0 10.4 1.0
CZ C:ARG96 4.1 10.0 1.0
C G:SER122 4.1 9.4 1.0
CL H:CL1157 4.2 15.4 1.0
NE C:ARG96 4.2 10.1 1.0
CD1 H:ILE120 4.2 15.7 1.0
CA G:ALA123 4.3 10.3 1.0
CB G:ILE124 4.3 12.6 1.0
O H:HOH2137 4.3 34.0 1.0
CZ E:ARG96 4.4 9.7 1.0
CB G:ALA123 4.4 8.9 1.0
C G:ALA123 4.5 9.0 1.0
CG E:ARG96 4.5 8.3 1.0
NH2 E:ARG96 4.6 12.0 1.0
CA G:ILE124 4.8 11.1 1.0
CD1 G:LEU151 4.8 22.6 1.0
N G:SER122 4.9 9.3 1.0
OE2 E:GLU99 4.9 13.4 1.0
O G:ILE121 5.0 10.6 1.0

Chlorine binding site 8 out of 10 in 1dw9

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Chlorine binding site 8 out of 10 in the Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1157

b:15.4
occ:1.00
O H:HOH2137 2.6 34.0 1.0
NH2 E:ARG96 3.1 12.0 1.0
N H:ALA123 3.2 8.6 1.0
NE C:ARG96 3.3 10.1 1.0
OG H:SER122 3.3 13.2 1.0
CD C:ARG96 3.6 8.4 1.0
CD1 H:ILE120 3.6 15.7 1.0
CA H:SER122 3.7 11.0 1.0
CG1 H:ILE124 3.8 12.5 1.0
N H:ILE124 3.9 10.3 1.0
C H:SER122 4.0 10.8 1.0
CZ E:ARG96 4.1 9.7 1.0
CB H:SER122 4.1 11.9 1.0
CL G:CL1157 4.2 15.3 1.0
CA H:ALA123 4.2 10.4 1.0
NE E:ARG96 4.2 9.3 1.0
CD1 G:ILE120 4.2 12.0 1.0
CB H:ILE124 4.3 10.8 1.0
CB H:ALA123 4.3 8.8 1.0
CG C:ARG96 4.4 9.4 1.0
CZ C:ARG96 4.4 10.0 1.0
C H:ALA123 4.4 9.9 1.0
NH2 C:ARG96 4.7 9.2 1.0
CA H:ILE124 4.7 10.3 1.0
N H:SER122 4.9 10.3 1.0
OE2 C:GLU99 4.9 14.0 1.0
CD1 H:LEU151 5.0 26.2 1.0
O H:ILE121 5.0 10.8 1.0

Chlorine binding site 9 out of 10 in 1dw9

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Chlorine binding site 9 out of 10 in the Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl1157

b:15.3
occ:1.00
NH2 H:ARG96 3.1 10.6 1.0
NE J:ARG96 3.2 9.3 1.0
N I:ALA123 3.3 9.0 1.0
OG I:SER122 3.3 12.3 1.0
CA I:SER122 3.6 9.1 1.0
CD J:ARG96 3.7 8.5 1.0
CD1 I:ILE120 3.7 14.0 1.0
CG1 I:ILE124 3.9 11.8 1.0
N I:ILE124 4.0 9.1 1.0
CB I:SER122 4.0 12.3 1.0
C I:SER122 4.0 9.7 1.0
CD1 C:ILE120 4.1 13.3 1.0
CZ H:ARG96 4.1 10.2 1.0
CL C:CL1157 4.1 14.8 1.0
NE H:ARG96 4.2 8.4 1.0
O C:HOH2160 4.2 38.7 1.0
CA I:ALA123 4.2 10.6 1.0
CB I:ILE124 4.2 11.6 1.0
CZ J:ARG96 4.4 9.9 1.0
CB I:ALA123 4.4 11.1 1.0
CG J:ARG96 4.5 10.1 1.0
C I:ALA123 4.5 10.6 1.0
NH2 J:ARG96 4.7 10.8 1.0
CD1 I:LEU151 4.7 24.2 1.0
CA I:ILE124 4.8 11.5 1.0
N I:SER122 4.9 8.9 1.0
OE2 J:GLU99 4.9 13.3 1.0

Chlorine binding site 10 out of 10 in 1dw9

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Chlorine binding site 10 out of 10 in the Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl1157

b:15.4
occ:1.00
O J:HOH2151 2.8 39.3 1.0
NH2 D:ARG96 3.1 10.7 1.0
NE I:ARG96 3.2 10.5 1.0
N J:ALA123 3.2 9.1 1.0
OG J:SER122 3.4 12.9 1.0
CD I:ARG96 3.5 9.6 1.0
CD1 J:ILE120 3.7 14.8 1.0
CA J:SER122 3.7 10.2 1.0
CG1 J:ILE124 3.9 11.4 1.0
N J:ILE124 3.9 9.2 1.0
C J:SER122 4.0 12.0 1.0
CZ D:ARG96 4.0 11.2 1.0
CB J:SER122 4.1 10.7 1.0
CL A:CL1157 4.1 16.2 1.0
NE D:ARG96 4.2 11.1 1.0
CA J:ALA123 4.2 9.6 1.0
CD1 A:ILE120 4.2 14.3 1.0
CB J:ILE124 4.3 8.2 1.0
CB J:ALA123 4.3 9.4 1.0
CZ I:ARG96 4.3 10.0 1.0
CG I:ARG96 4.3 8.6 1.0
O A:HOH2147 4.4 34.8 1.0
C J:ALA123 4.4 10.1 1.0
NH2 I:ARG96 4.6 10.4 1.0
CA J:ILE124 4.8 9.8 1.0
OE2 I:GLU99 4.8 13.4 1.0
CD1 J:LEU151 4.9 24.2 1.0
N J:SER122 4.9 9.0 1.0

Reference:

M.A.Walsh, Z.Otwinowski, A.Perrakis, P.M.Anderson, A.Joachimiak. Structure of Cyanase Reveals That A Novel Dimeric and Decameric Arrangement of Subunits Is Required For Formation of the Enzyme Active Site Structure V. 8 505 2000.
ISSN: ISSN 0969-2126
PubMed: 10801492
DOI: 10.1016/S0969-2126(00)00134-9
Page generated: Sat Dec 12 08:34:10 2020

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