Chlorine in PDB 2anu: Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution

The structure of Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution, PDB code: 2anu was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.00 / 2.40
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	111.307, 111.307, 383.222, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 22

The structure of Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

24 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution (pdb code 2anu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution, PDB code: 2anu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 15 in the Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution


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 Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:25.7 occ:1.00 O A:HOH1055 2.2 23.9 1.0 ZN A:ZN705 2.9 67.2 1.0 ZN A:ZN605 3.0 46.2 1.0 ZN A:ZN505 3.0 29.2 1.0 ZN A:ZN405 3.1 32.7 1.0 CE1 A:HIS45 3.6 29.8 1.0 NE2 A:HIS45 3.7 29.8 1.0 CE1 A:HIS195 3.8 31.8 1.0 NE2 A:HIS195 3.8 30.2 1.0 OD1 A:ASP193 4.0 27.9 1.0 OE1 A:GLU97 4.1 33.5 1.0 CL A:CL1002 4.1 33.1 1.0 OE2 A:GLU97 4.4 36.6 1.0 OD2 A:ASP193 4.4 36.6 1.0 NE2 A:HIS15 4.5 31.9 1.0 CG A:ASP193 4.6 25.6 1.0 ND1 A:HIS106 4.7 38.6 1.0 CD A:GLU97 4.7 26.0 1.0 CE1 A:HIS106 4.8 33.6 1.0 OD1 A:ASP142 4.8 39.1 1.0 OD2 A:ASP20 4.8 32.2 1.0 ND1 A:HIS45 4.9 31.5 1.0 CE1 A:HIS15 5.0 31.7 1.0

Chlorine binding site 2 out of 15 in the Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution


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 Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:33.1 occ:1.00 ZN A:ZN705 2.6 67.2 1.0 ZN A:ZN605 3.0 46.2 1.0 O A:HIS140 3.1 36.9 1.0 OD2 A:ASP193 3.7 36.6 1.0 CE1 A:HIS13 3.7 27.8 1.0 ZN A:ZN405 3.9 32.7 1.0 C A:HIS140 3.9 34.9 1.0 CA A:PRO141 3.9 39.1 1.0 CG A:ASP193 4.1 25.6 1.0 OE2 A:GLU97 4.1 36.6 1.0 CL A:CL1001 4.1 25.7 1.0 ND1 A:HIS106 4.2 38.6 1.0 N A:ASP142 4.3 43.4 1.0 NE2 A:HIS13 4.3 30.6 1.0 N A:PRO141 4.3 37.0 1.0 OD1 A:ASP193 4.3 27.9 1.0 CB A:ALA139 4.3 29.9 1.0 ND2 A:ASN173 4.4 38.5 1.0 C A:PRO141 4.5 42.1 1.0 OD1 A:ASP142 4.7 39.1 1.0 ND1 A:HIS13 4.7 28.5 1.0 OE1 A:GLU97 4.8 33.5 1.0 CD A:GLU97 4.8 26.0 1.0 N A:HIS140 4.8 33.7 1.0 CB A:HIS106 5.0 27.1 1.0 C A:ALA139 5.0 33.2 1.0

Chlorine binding site 3 out of 15 in the Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution


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 Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1013 b:24.2 occ:1.00 O A:HOH1018 3.2 21.8 1.0 N A:ILE213 3.3 29.4 1.0 CB A:ASN212 3.8 28.9 1.0 CG1 A:ILE213 3.8 29.9 1.0 CB A:ILE213 3.9 28.9 1.0 CA A:ASN212 3.9 29.9 1.0 C A:ASN212 4.1 30.4 1.0 CD1 A:ILE213 4.2 29.5 1.0 CA A:ILE213 4.2 28.4 1.0 CG A:ASN212 4.8 29.2 1.0 OD1 A:ASN212 4.9 31.8 1.0

Chlorine binding site 4 out of 15 in the Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution


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 Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1003 b:27.7 occ:1.00 ZN B:ZN505 3.0 30.2 1.0 ZN B:ZN605 3.0 63.0 1.0 ZN B:ZN705 3.0 79.6 1.0 ZN B:ZN405 3.3 40.0 1.0 CE1 B:HIS45 3.4 29.9 1.0 NE2 B:HIS45 3.5 28.2 1.0 NE2 B:HIS195 3.8 28.6 1.0 CE1 B:HIS195 3.8 29.5 1.0 OD1 B:ASP193 4.3 30.0 1.0 CL B:CL1004 4.3 41.4 1.0 OE1 B:GLU97 4.3 33.2 1.0 OE2 B:GLU97 4.4 43.2 1.0 OD2 B:ASP193 4.4 35.6 1.0 OD2 B:ASP20 4.5 31.1 1.0 NE2 B:HIS15 4.6 30.8 1.0 ND1 B:HIS45 4.7 29.6 1.0 ND1 B:HIS106 4.7 36.0 1.0 CD B:GLU97 4.7 27.4 1.0 CE1 B:HIS106 4.8 32.3 1.0 CG B:ASP193 4.8 27.1 1.0 CD2 B:HIS45 4.9 26.1 1.0 CE1 B:HIS15 5.0 32.6 1.0

Chlorine binding site 5 out of 15 in the Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution


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 Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1004 b:41.4 occ:1.00 ZN B:ZN705 2.7 79.6 1.0 ZN B:ZN605 3.0 63.0 1.0 O B:HIS140 3.3 38.2 1.0 CE1 B:HIS13 3.6 30.6 1.0 OD2 B:ASP193 3.8 35.6 1.0 ZN B:ZN405 3.9 40.0 1.0 OE2 B:GLU97 3.9 43.2 1.0 C B:HIS140 4.1 35.8 1.0 CA B:PRO141 4.2 40.0 1.0 CG B:ASP193 4.2 27.1 1.0 ND1 B:HIS106 4.2 36.0 1.0 CB B:ALA139 4.2 30.5 1.0 ND2 B:ASN173 4.3 39.3 1.0 N B:ASP142 4.3 44.0 1.0 CL B:CL1003 4.3 27.7 1.0 NE2 B:HIS13 4.3 32.6 1.0 OD1 B:ASP193 4.4 30.0 1.0 N B:PRO141 4.5 38.8 1.0 OE1 B:GLU97 4.6 33.2 1.0 CD B:GLU97 4.6 27.4 1.0 C B:PRO141 4.7 42.2 1.0 ND1 B:HIS13 4.7 28.5 1.0 N B:HIS140 4.7 34.5 1.0 OE1 B:GLU170 4.7 31.1 1.0 CB B:HIS106 4.9 27.5 1.0 CG B:HIS106 5.0 30.0 1.0

Chlorine binding site 6 out of 15 in the Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution


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 Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1005 b:31.5 occ:1.00 ZN C:ZN505 2.9 33.3 1.0 ZN C:ZN605 3.0 54.6 1.0 ZN C:ZN705 3.0 73.8 1.0 ZN C:ZN405 3.2 42.8 1.0 CE1 C:HIS45 3.5 29.7 1.0 NE2 C:HIS45 3.6 28.6 1.0 NE2 C:HIS195 3.7 30.4 1.0 CE1 C:HIS195 3.9 30.3 1.0 OD1 C:ASP193 4.1 30.7 1.0 NZ C:LYS145 4.1 61.4 1.0 OD2 C:ASP193 4.3 34.1 1.0 OE2 C:GLU97 4.4 41.0 1.0 OE1 C:GLU97 4.4 31.2 1.0 CL C:CL1006 4.4 44.8 1.0 NE2 C:HIS15 4.6 30.9 1.0 CE C:LYS145 4.6 67.9 1.0 CG C:ASP193 4.6 26.8 1.0 ND1 C:HIS45 4.7 31.4 1.0 OD2 C:ASP20 4.8 31.7 1.0 ND1 C:HIS106 4.8 35.6 1.0 CD C:GLU97 4.8 24.4 1.0 CE1 C:HIS15 4.9 33.0 1.0 CE1 C:HIS106 4.9 32.6 1.0 CD2 C:HIS45 4.9 25.9 1.0 CD2 C:HIS195 5.0 30.0 1.0

Chlorine binding site 7 out of 15 in the Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1006 b:44.8 occ:1.00 ZN C:ZN705 2.8 73.8 1.0 ZN C:ZN605 3.2 54.6 1.0 O C:HIS140 3.2 38.2 1.0 CE1 C:HIS13 3.6 30.3 1.0 OD2 C:ASP193 3.8 34.1 1.0 C C:HIS140 3.9 36.2 1.0 ZN C:ZN405 4.0 42.8 1.0 ND2 C:ASN173 4.1 36.5 1.0 CA C:PRO141 4.1 39.4 1.0 CB C:ALA139 4.2 31.6 1.0 CG C:ASP193 4.2 26.8 1.0 N C:ASP142 4.3 43.7 1.0 OE2 C:GLU97 4.3 41.0 1.0 ND1 C:HIS106 4.3 35.6 1.0 NE2 C:HIS13 4.3 32.1 1.0 N C:PRO141 4.3 37.9 1.0 CL C:CL1005 4.4 31.5 1.0 OD1 C:ASP193 4.5 30.7 1.0 C C:PRO141 4.6 42.1 1.0 N C:HIS140 4.6 34.2 1.0 ND1 C:HIS13 4.7 31.3 1.0 OE1 C:GLU170 4.7 32.3 1.0 C C:ALA139 4.7 33.5 1.0 OD1 C:ASP142 4.9 45.5 1.0 CA C:HIS140 4.9 34.8 1.0 CB C:HIS106 4.9 28.4 1.0 OE1 C:GLU97 4.9 31.2 1.0 CD C:GLU97 5.0 24.4 1.0

Chlorine binding site 8 out of 15 in the Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1014 b:24.8 occ:1.00 O D:HOH1026 3.0 21.0 1.0 O C:HOH1015 3.0 21.8 1.0 N C:ILE213 3.3 29.5 1.0 N D:ILE213 3.3 29.9 1.0 CB C:ASN212 3.7 29.2 1.0 CA C:ASN212 3.8 30.6 1.0 CG1 C:ILE213 3.9 28.3 1.0 CB D:ASN212 3.9 29.8 1.0 CA D:ASN212 3.9 30.3 1.0 CG1 D:ILE213 4.0 30.5 1.0 CB C:ILE213 4.0 28.8 1.0 CD1 C:ILE213 4.0 29.9 1.0 CB D:ILE213 4.0 29.1 1.0 C C:ASN212 4.1 29.9 1.0 C D:ASN212 4.1 30.8 1.0 CA C:ILE213 4.2 28.4 1.0 CA D:ILE213 4.2 28.8 1.0 CD1 D:ILE213 4.3 28.7 1.0 OD1 D:ASN212 4.6 33.6 1.0 CG C:ASN212 4.7 30.4 1.0 OD1 C:ASN212 4.7 31.9 1.0 CG D:ASN212 4.8 30.4 1.0

Chlorine binding site 9 out of 15 in the Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1007 b:31.0 occ:1.00 ZN D:ZN505 2.8 35.5 1.0 ZN D:ZN605 3.0 53.0 1.0 ZN D:ZN705 3.3 73.7 1.0 ZN D:ZN405 3.4 40.8 1.0 CE1 D:HIS45 3.6 27.7 1.0 CE1 D:HIS195 3.7 29.5 1.0 NE2 D:HIS195 3.8 29.6 1.0 NE2 D:HIS45 3.8 32.4 1.0 OD1 D:ASP193 4.2 30.4 1.0 OE1 D:GLU97 4.3 31.3 1.0 OD2 D:ASP193 4.3 35.6 1.0 CL D:CL1008 4.5 40.1 1.0 OD2 D:ASP20 4.5 30.6 1.0 NE2 D:HIS15 4.6 30.3 1.0 CG D:ASP193 4.7 26.6 1.0 ND1 D:HIS106 4.8 36.3 1.0 ND1 D:HIS45 4.9 30.7 1.0 CE1 D:HIS106 4.9 33.3 1.0 ND1 D:HIS195 4.9 24.8 1.0

Chlorine binding site 10 out of 15 in the Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Predicted Metal-Dependent Phosphoesterase (Php Family) (TM0559) From Thermotoga Maritima at 2.40 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1008 b:40.1 occ:1.00 ZN D:ZN705 2.8 73.7 1.0 O D:HIS140 3.2 35.2 1.0 ZN D:ZN605 3.2 53.0 1.0 CE1 D:HIS13 3.7 29.8 1.0 OE2 D:GLU97 3.9 41.2 1.0 OD2 D:ASP193 3.9 35.6 1.0 C D:HIS140 3.9 35.3 1.0 ZN D:ZN405 3.9 40.8 1.0 O D:HOH1028 3.9 37.9 1.0 CA D:PRO141 4.0 39.7 1.0 CB D:ALA139 4.1 30.1 1.0 NE2 D:HIS13 4.2 30.5 1.0 N D:ASP142 4.2 44.1 1.0 ND1 D:HIS106 4.3 36.3 1.0 CG D:ASP193 4.3 26.6 1.0 N D:PRO141 4.3 38.4 1.0 ND2 D:ASN173 4.3 39.7 1.0 OD1 D:ASP193 4.4 30.4 1.0 CL D:CL1007 4.5 31.0 1.0 C D:PRO141 4.5 41.7 1.0 N D:HIS140 4.7 35.4 1.0 ND1 D:HIS13 4.8 28.4 1.0 CD D:GLU97 4.8 26.9 1.0 C D:ALA139 4.8 33.4 1.0 OE1 D:GLU170 4.9 30.7 1.0 CB D:HIS106 4.9 26.7 1.0 OE1 D:GLU97 5.0 31.3 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.