Chlorine in PDB 3cmb: Crystal Structure of Acetoacetate Decarboxylase (YP_001047042.1) From Methanoculleus Marisnigri JR1 at 1.60 A Resolution

The structure of Crystal Structure of Acetoacetate Decarboxylase (YP_001047042.1) From Methanoculleus Marisnigri JR1 at 1.60 A Resolution, PDB code: 3cmb 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)	29.39 / 1.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	129.340, 136.710, 168.120, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 25.9

The structure of Crystal Structure of Acetoacetate Decarboxylase (YP_001047042.1) From Methanoculleus Marisnigri JR1 at 1.60 A Resolution also contains other interesting chemical elements:

Sodium

(Na)

12 atoms

The binding sites of Chlorine atom in the Crystal Structure of Acetoacetate Decarboxylase (YP_001047042.1) From Methanoculleus Marisnigri JR1 at 1.60 A Resolution (pdb code 3cmb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Acetoacetate Decarboxylase (YP_001047042.1) From Methanoculleus Marisnigri JR1 at 1.60 A Resolution, PDB code: 3cmb:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Acetoacetate Decarboxylase (YP_001047042.1) From Methanoculleus Marisnigri JR1 at 1.60 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 Acetoacetate Decarboxylase (YP_001047042.1) From Methanoculleus Marisnigri JR1 at 1.60 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl268 b:29.6 occ:1.00 O C:HOH307 2.6 20.9 1.0 O A:GLU145 2.7 16.4 1.0 O A:HOH313 2.8 21.8 1.0 ND2 A:ASN147 2.9 15.0 1.0 NE2 C:HIS132 3.6 14.6 1.0 CG C:GLU129 3.6 11.8 1.0 CE1 C:HIS132 3.6 14.7 1.0 CB A:GLU145 3.6 15.1 1.0 C A:GLU145 3.8 13.9 1.0 OE1 C:GLU129 3.8 16.1 1.0 CD C:GLU129 3.8 13.2 1.0 OG1 C:THR141 4.0 16.4 1.0 O A:HOH281 4.0 17.3 1.0 CG A:ASN147 4.0 14.6 1.0 O A:GLN224 4.2 19.0 1.0 CD2 C:HIS132 4.2 14.2 1.0 CB C:THR141 4.2 18.0 1.0 ND1 C:HIS132 4.3 13.4 1.0 CA A:GLU145 4.3 16.6 1.0 OD1 A:ASN147 4.4 15.5 1.0 OE1 A:GLU145 4.4 23.3 1.0 CB C:GLU129 4.4 14.5 1.0 O A:TYR144 4.6 11.9 1.0 OE2 C:GLU129 4.6 13.6 1.0 CG C:HIS132 4.6 8.7 1.0 CA A:GLN224 4.8 14.1 1.0 O A:MSE223 4.8 13.6 1.0 CG A:GLU145 4.9 18.9 1.0 N A:GLY146 4.9 13.4 1.0 C A:GLN224 4.9 15.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Acetoacetate Decarboxylase (YP_001047042.1) From Methanoculleus Marisnigri JR1 at 1.60 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 Acetoacetate Decarboxylase (YP_001047042.1) From Methanoculleus Marisnigri JR1 at 1.60 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl267 b:27.7 occ:1.00 O C:HOH299 2.8 19.9 1.0 N C:TYR125 3.1 13.4 1.0 NA C:NA265 3.2 15.9 1.0 NE2 C:GLN228 3.4 14.8 1.0 CB C:TYR125 3.7 9.1 1.0 CG2 B:THR109 3.8 10.5 1.0 N B:ALA110 3.9 15.0 1.0 CB B:THR109 3.9 10.4 1.0 CB C:ILE124 3.9 14.7 1.0 CA C:TYR125 4.0 13.6 1.0 CA C:ILE124 4.0 10.4 1.0 C C:ILE124 4.0 11.6 1.0 CA B:ALA110 4.1 14.0 1.0 CD1 B:LEU113 4.2 13.7 1.0 C B:THR109 4.2 7.9 1.0 O C:TYR125 4.5 11.6 1.0 CG2 C:ILE124 4.5 14.1 1.0 CB B:ALA110 4.6 16.1 1.0 CA B:THR109 4.6 10.0 1.0 CD C:GLN228 4.7 14.7 1.0 C C:TYR125 4.7 9.2 1.0 O B:THR109 4.8 13.4 1.0 CG B:LEU113 4.9 18.9 1.0 O B:HOH483 4.9 36.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Acetoacetate Decarboxylase (YP_001047042.1) From Methanoculleus Marisnigri JR1 at 1.60 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 Acetoacetate Decarboxylase (YP_001047042.1) From Methanoculleus Marisnigri JR1 at 1.60 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl267 b:41.7 occ:1.00 O D:HOH298 2.7 20.7 1.0 O D:HOH471 2.7 38.5 1.0 NH1 D:ARG256 3.1 32.5 1.0 CB D:ARG256 3.7 21.2 1.0 CD D:ARG256 3.8 29.2 1.0 CA D:GLY259 4.0 22.9 1.0 O D:HOH293 4.1 19.2 1.0 CB D:PRO200 4.1 22.7 1.0 CG D:ARG256 4.2 23.0 1.0 CZ D:ARG256 4.2 36.5 1.0 CG D:PRO200 4.3 22.3 1.0 O D:PRO200 4.4 18.2 1.0 NE D:ARG256 4.4 28.2 1.0 O D:HOH509 4.5 43.4 1.0 O D:ARG256 4.5 20.6 1.0 O D:GLY259 4.5 22.8 1.0 O D:HOH409 4.6 33.1 1.0 C D:GLY259 4.6 20.3 1.0 O D:HOH400 4.8 32.5 1.0 CD D:PRO200 4.9 21.7 1.0 CA D:ARG256 4.9 20.5 1.0 N D:GLY259 4.9 22.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Acetoacetate Decarboxylase (YP_001047042.1) From Methanoculleus Marisnigri JR1 at 1.60 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 Acetoacetate Decarboxylase (YP_001047042.1) From Methanoculleus Marisnigri JR1 at 1.60 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl268 b:28.1 occ:1.00 O D:HOH301 2.9 21.0 1.0 N D:TYR125 3.1 12.2 1.0 O D:HOH271 3.2 9.7 1.0 NE2 D:GLN228 3.3 13.0 1.0 CB D:TYR125 3.6 13.1 1.0 CG2 A:THR109 3.7 15.1 1.0 CB A:THR109 3.8 13.8 1.0 CB D:ILE124 3.8 14.6 1.0 CA D:TYR125 3.9 10.5 1.0 N A:ALA110 4.0 15.3 1.0 CA D:ILE124 4.0 13.1 1.0 C D:ILE124 4.0 13.0 1.0 O D:TYR125 4.3 12.5 1.0 CD1 A:LEU113 4.3 13.9 1.0 CA A:ALA110 4.3 13.4 1.0 C A:THR109 4.3 13.5 1.0 CG2 D:ILE124 4.4 13.1 1.0 C D:TYR125 4.6 8.9 1.0 CD D:GLN228 4.6 14.8 1.0 CA A:THR109 4.6 16.1 1.0 CB A:ALA110 4.6 18.5 1.0 O A:THR109 4.8 14.0 1.0 OG1 A:THR109 4.9 14.9 1.0 CG A:LEU113 5.0 18.4 1.0 CG D:TYR125 5.0 12.1 1.0

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