Chlorine in PDB 4ktb: The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603

The structure of The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603, PDB code: 4ktb was solved by K.Tan, Y.Kim, R.Wu, S.Clancy, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.84 / 1.94
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.489, 69.809, 94.313, 90.00, 90.04, 90.00
R / Rfree (%)	17.3 / 22.4

The structure of The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Chlorine atom in the The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603 (pdb code 4ktb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 22 binding sites of Chlorine where determined in the The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603, PDB code: 4ktb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 22 in the The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:25.3 occ:1.00 O A:HOH306 2.8 13.7 1.0 O A:HOH345 3.1 12.2 1.0 N A:ARG76 3.4 13.6 1.0 CA A:GLY75 3.7 12.6 1.0 CE1 A:HIS90 3.8 16.6 1.0 C A:GLY75 4.1 12.3 1.0 CB A:ARG76 4.1 17.0 1.0 CA A:ARG76 4.4 13.9 1.0 NE2 A:HIS90 4.6 7.0 1.0 ND1 A:HIS90 4.7 13.4 1.0 O A:SER74 4.7 12.9 1.0 NA A:NA201 4.8 20.4 1.0 OH A:TYR39 4.9 26.4 1.0 N A:GLY75 5.0 11.6 1.0 O A:ARG76 5.0 14.1 1.0

Chlorine binding site 2 out of 22 in the The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:25.0 occ:1.00 O A:HOH434 2.5 17.1 1.0 O A:HOH301 2.8 20.3 1.0 O A:HOH302 3.3 31.1 1.0 N A:ILE137 3.5 13.4 1.0 CB A:PHE110 3.7 14.6 1.0 N A:PHE110 3.9 7.9 1.0 CA A:TYR136 4.0 5.9 1.0 CD2 A:PHE110 4.1 19.7 1.0 NE2 A:HIS184 4.2 12.9 1.0 CD2 A:HIS184 4.2 14.4 1.0 C A:TYR136 4.3 12.4 1.0 CA A:PHE110 4.3 9.4 1.0 CB A:ILE137 4.3 10.8 1.0 CB A:TYR136 4.3 11.1 1.0 O A:HOH366 4.4 7.5 1.0 CG A:PHE110 4.4 18.7 1.0 CD2 A:TYR136 4.4 8.3 1.0 CA A:ILE137 4.5 10.2 1.0 O A:ILE137 4.5 11.1 1.0 C A:PRO109 4.6 7.3 1.0 O A:ALA135 4.6 9.7 1.0 CG1 A:ILE137 4.6 7.8 1.0 O A:GLN108 4.6 11.7 1.0 O A:HOH378 4.7 19.7 1.0 CG A:TYR136 4.8 6.6 1.0 CD1 A:ILE137 4.9 18.2 1.0 CA A:PRO109 4.9 9.1 1.0 C A:ILE137 5.0 11.7 1.0

Chlorine binding site 3 out of 22 in the The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:44.5 occ:1.00 NE2 A:HIS130 2.6 6.0 1.0 O B:GLU81 2.7 6.8 1.0 OE2 A:GLU114 2.8 6.8 1.0 CE1 A:HIS130 3.2 7.1 1.0 CE1 A:PHE116 3.3 16.7 1.0 CA B:ARG82 3.7 8.7 1.0 C B:GLU81 3.7 7.1 1.0 CD A:GLU114 3.7 10.2 1.0 CB A:GLU114 3.7 5.5 1.0 CG2 A:VAL132 3.8 6.9 1.0 CZ A:PHE116 3.9 18.3 1.0 CD2 A:HIS130 3.9 6.3 1.0 N B:VAL83 3.9 8.1 1.0 CG A:GLU114 4.0 6.5 1.0 N B:ARG82 4.1 8.2 1.0 C B:ARG82 4.2 9.8 1.0 CD1 A:PHE116 4.3 14.8 1.0 CG2 B:VAL83 4.4 7.6 1.0 ND1 A:HIS130 4.5 6.9 1.0 CG1 B:VAL77 4.6 7.5 1.0 CB B:ARG82 4.8 10.0 1.0 CA A:GLU114 4.8 5.5 1.0 CG A:HIS130 4.8 8.2 1.0 OE1 A:GLU114 4.8 10.7 1.0 N B:GLU81 4.9 7.7 1.0 CA B:GLU81 4.9 7.7 1.0 CA B:VAL83 5.0 7.8 1.0

Chlorine binding site 4 out of 22 in the The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:20.8 occ:1.00 O A:THR118 2.7 19.6 1.0 O A:PHE124 2.9 8.6 1.0 N A:THR122 2.9 13.2 1.0 O A:HOH362 2.9 23.6 1.0 N A:VAL121 3.0 21.0 1.0 O A:THR122 3.1 10.1 1.0 N A:GLY120 3.4 24.8 1.0 CB A:PHE116 3.4 15.2 1.0 CA A:VAL121 3.6 15.8 1.0 CB A:VAL121 3.6 17.8 1.0 OG1 A:THR122 3.7 16.9 1.0 C A:VAL121 3.7 13.9 1.0 C A:THR122 3.8 13.8 1.0 C A:PHE124 3.9 14.1 1.0 C A:PRO119 3.9 23.5 1.0 C A:THR118 3.9 21.5 1.0 CA A:THR122 3.9 15.1 1.0 CA A:PRO119 3.9 23.3 1.0 C A:GLY120 4.0 25.2 1.0 CA A:GLY120 4.2 23.2 1.0 CA A:PHE116 4.3 16.9 1.0 N A:PHE116 4.3 15.2 1.0 CB A:THR122 4.3 15.8 1.0 CG2 A:VAL121 4.3 17.9 1.0 CG A:PHE116 4.3 17.6 1.0 N A:PHE124 4.4 15.1 1.0 N A:PRO119 4.4 23.3 1.0 O A:PHE116 4.5 21.3 1.0 CB A:TYR125 4.6 13.4 1.0 CA A:TYR125 4.6 12.0 1.0 C A:PHE116 4.7 17.2 1.0 N A:TYR125 4.7 14.5 1.0 CA A:PHE124 4.7 16.7 1.0 O A:PRO119 4.8 21.7 1.0 CG2 A:THR122 4.8 14.2 1.0 CG1 A:VAL121 4.9 17.9 1.0 O A:VAL121 4.9 15.5 1.0 CD1 A:PHE116 5.0 14.8 1.0

Chlorine binding site 5 out of 22 in the The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:28.6 occ:1.00 O A:HOH310 2.7 11.3 1.0 O A:GLY96 2.9 18.8 1.0 O A:HOH321 3.0 11.7 1.0 O D:HOH390 3.6 15.3 1.0 CA A:GLU92 3.6 14.5 1.0 N A:ALA99 3.7 16.6 1.0 C A:PRO97 3.7 18.9 1.0 CB A:ALA99 3.8 14.6 1.0 CD A:PRO101 3.8 11.2 1.0 N A:GLU92 3.8 13.0 1.0 CA A:PRO97 3.8 16.3 1.0 O A:PRO97 3.8 20.7 1.0 CG2 A:ILE91 3.9 15.3 1.0 CB A:GLU92 3.9 16.0 1.0 C A:GLY96 4.0 20.3 1.0 CG A:GLU92 4.0 23.7 1.0 N A:LEU100 4.2 15.2 1.0 CA A:ALA99 4.2 17.6 1.0 N A:VAL98 4.2 14.1 1.0 C A:ILE91 4.2 14.9 1.0 N A:PRO97 4.3 13.6 1.0 O A:ILE91 4.4 15.4 1.0 O D:HOH389 4.4 17.5 1.0 CG A:PRO101 4.4 12.9 1.0 O A:HOH326 4.4 18.2 1.0 CB A:ILE91 4.6 13.1 1.0 C A:ALA99 4.6 15.2 1.0 C A:VAL98 4.7 20.1 1.0 CA A:VAL98 4.8 16.7 1.0 C A:GLU92 4.9 15.6 1.0

Chlorine binding site 6 out of 22 in the The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:27.7 occ:1.00 N A:GLN171 2.7 13.3 1.0 O A:ARG70 2.9 23.8 1.0 NE2 A:GLN174 2.9 13.7 1.0 CB A:GLN174 3.4 10.3 1.0 CA A:MSE170 3.5 20.9 1.0 O A:GLN171 3.5 22.0 1.0 C A:MSE170 3.6 19.4 1.0 CB A:MSE170 3.6 22.1 1.0 CA A:GLN171 3.7 18.8 1.0 CG A:GLN174 3.7 23.1 1.0 CE A:MSE170 3.8 14.0 1.0 CD A:GLN174 3.8 18.9 1.0 CB A:GLN171 3.8 20.1 1.0 C A:ARG70 3.9 22.3 1.0 CA A:ALA71 4.0 19.8 1.0 CG A:GLN171 4.0 25.4 1.0 C A:GLN171 4.1 20.1 1.0 N A:ALA71 4.4 16.9 1.0 CB A:ALA71 4.4 20.5 1.0 CE A:MSE69 4.5 19.9 1.0 CG A:MSE170 4.6 23.9 1.0 O A:HOH382 4.7 21.0 1.0 CA A:GLN174 4.7 10.3 1.0 O A:MSE170 4.8 17.5 1.0 N A:MSE170 4.9 20.8 1.0 N A:LEU72 4.9 18.3 1.0 OE1 A:GLN174 5.0 15.5 1.0 O A:HIS169 5.0 19.2 1.0

Chlorine binding site 7 out of 22 in the The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:40.4 occ:1.00 O B:PRO36 2.8 26.4 1.0 N A:VAL38 3.3 11.7 1.0 CA A:LEU37 3.3 12.5 1.0 CD2 A:LEU37 3.5 16.5 1.0 CD B:PRO36 3.6 14.7 1.0 CD2 B:LEU35 3.7 31.4 1.0 CG B:PRO36 3.8 17.1 1.0 CB B:LEU35 3.8 30.7 1.0 C A:LEU37 3.8 10.5 1.0 O A:PRO36 3.9 7.5 1.0 C B:PRO36 3.9 20.6 1.0 CB A:LEU37 3.9 12.9 1.0 N B:PRO36 3.9 14.5 1.0 CG B:LEU35 4.3 33.2 1.0 CG2 A:VAL38 4.3 5.8 1.0 CG A:LEU37 4.4 15.4 1.0 CA B:PRO36 4.4 13.2 1.0 CA A:VAL38 4.4 9.1 1.0 N A:LEU37 4.4 12.4 1.0 C B:LEU35 4.5 21.8 1.0 CB A:VAL38 4.5 5.7 1.0 CA B:LEU35 4.5 28.3 1.0 C A:PRO36 4.6 13.5 1.0 CB B:PRO36 4.6 15.6 1.0 O A:HOH350 4.8 17.8 1.0 CD1 B:LEU35 4.8 32.0 1.0 O A:VAL38 4.9 8.2 1.0 N B:LEU37 5.0 14.9 1.0

Chlorine binding site 8 out of 22 in the The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:22.9 occ:1.00 O A:PHE110 2.7 7.3 1.0 ND1 C:HIS184 2.9 11.6 1.0 O A:HOH322 3.0 9.2 1.0 O C:HOH313 3.0 9.1 1.0 ND1 A:HIS184 3.5 15.4 1.0 C A:PHE110 3.8 11.0 1.0 CE1 C:HIS184 3.8 14.4 1.0 CG C:HIS184 4.0 10.3 1.0 CD1 A:PHE110 4.0 19.1 1.0 CA C:HIS184 4.0 8.2 1.0 CB A:HIS184 4.1 8.7 1.0 CG A:HIS184 4.1 13.8 1.0 CB C:HIS184 4.2 9.3 1.0 CB A:PHE110 4.3 14.6 1.0 CA A:PHE110 4.3 9.4 1.0 CE1 A:HIS184 4.4 8.0 1.0 O C:HOH305 4.4 15.3 1.0 CG A:PHE110 4.6 18.7 1.0 CA A:HIS184 4.7 9.8 1.0 O C:HIS184 4.7 19.6 1.0 N A:THR111 4.9 5.2 1.0 N C:HIS184 4.9 9.1 1.0 C C:HIS184 4.9 19.5 1.0 O A:GLN180 4.9 12.0 1.0 CB A:THR111 5.0 8.3 1.0 CE1 A:PHE110 5.0 21.5 1.0 NE2 C:HIS184 5.0 14.4 1.0

Chlorine binding site 9 out of 22 in the The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:29.5 occ:1.00 NH1 C:ARG187 3.0 33.6 1.0 CD A:PRO123 3.3 20.0 1.0 C A:THR122 3.3 13.8 1.0 N A:PRO123 3.4 18.9 1.0 CA A:THR122 3.6 15.1 1.0 O A:VAL121 3.8 15.5 1.0 CG A:PRO123 3.8 21.7 1.0 O A:THR122 3.8 10.1 1.0 O A:HOH314 4.0 11.8 1.0 CZ C:ARG187 4.1 34.4 1.0 CA A:PRO123 4.1 18.8 1.0 C A:VAL121 4.2 13.9 1.0 N A:THR122 4.2 13.2 1.0 O C:HOH333 4.2 20.1 1.0 NH2 C:ARG187 4.3 33.7 1.0 CB A:PRO123 4.6 21.1 1.0 O C:HOH303 4.8 24.0 1.0 O C:HOH331 4.8 22.3 1.0 CB A:THR122 4.9 15.8 1.0 O A:GLY120 5.0 28.6 1.0

Chlorine binding site 10 out of 22 in the The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl211 b:30.3 occ:1.00 O A:HOH308 2.7 6.0 1.0 CD2 A:PHE124 3.3 15.3 1.0 O C:HOH379 3.3 22.0 1.0 N A:GLU114 3.3 5.5 1.0 CE2 A:PHE124 3.3 15.3 1.0 CB A:GLU114 3.6 5.5 1.0 CG A:GLU114 3.6 6.5 1.0 CB A:THR122 3.8 15.8 1.0 O A:VAL112 3.9 19.1 1.0 CA A:GLU114 3.9 5.5 1.0 CD A:GLU114 4.0 10.2 1.0 O C:HOH303 4.1 24.0 1.0 OE1 A:GLU114 4.1 10.7 1.0 CD A:PRO123 4.2 20.0 1.0 O A:GLU114 4.2 10.5 1.0 OG1 A:THR122 4.2 16.9 1.0 CG2 A:THR122 4.2 14.2 1.0 C A:ALA113 4.3 11.2 1.0 CA A:ALA113 4.3 5.2 1.0 O A:HOH311 4.3 9.5 1.0 O B:HOH308 4.4 20.5 1.0 C A:GLU114 4.5 6.2 1.0 CG A:PHE124 4.6 15.1 1.0 O B:HOH403 4.7 14.7 1.0 CZ A:PHE124 4.7 12.6 1.0 OE2 A:GLU114 4.7 6.8 1.0 C A:VAL112 4.9 4.7 1.0 N A:PRO123 4.9 18.9 1.0

K.Tan, Y.Kim, R.Wu, S.Clancy, A.Joachimiak. The Crystal Structure of Posible Asymmetric Diadenosine Tetraphosphate (Ap(4)A) Hydrolases From Jonesia Denitrificans Dsm 20603 To Be Published.