Chlorine in PDB 4hyr: Structure of Putative Glucarate Dehydratase From Acidaminococcus Sp. D21 with Unusual Static Disorder

The structure of Structure of Putative Glucarate Dehydratase From Acidaminococcus Sp. D21 with Unusual Static Disorder, PDB code: 4hyr was solved by R.P.Hegde, R.Toro, S.K.Burley, S.C.Almo, U.A.Ramagopal, New Yorkstructural Genomics Research Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.69 / 1.84
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.916, 88.916, 236.218, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 20

The binding sites of Chlorine atom in the Structure of Putative Glucarate Dehydratase From Acidaminococcus Sp. D21 with Unusual Static Disorder (pdb code 4hyr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Putative Glucarate Dehydratase From Acidaminococcus Sp. D21 with Unusual Static Disorder, PDB code: 4hyr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Putative Glucarate Dehydratase From Acidaminococcus Sp. D21 with Unusual Static Disorder


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Putative Glucarate Dehydratase From Acidaminococcus Sp. D21 with Unusual Static Disorder within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:32.2 occ:1.00 O A:HOH617 2.7 27.6 1.0 NE2 A:HIS27 3.2 17.0 1.0 O A:HOH811 3.2 16.2 1.0 NE2 A:HIS364 3.2 17.3 1.0 CE1 A:HIS27 3.4 16.8 1.0 O A:HOH854 3.8 33.7 1.0 CZ A:PHE148 3.9 18.2 1.0 CE1 A:HIS364 3.9 17.7 1.0 NH2 A:ARG418 3.9 21.4 1.0 CE2 A:PHE148 3.9 18.3 1.0 NH1 A:ARG418 4.3 20.0 1.0 CD2 A:HIS364 4.4 17.2 1.0 O A:HOH883 4.4 34.3 1.0 CD2 A:HIS27 4.5 17.0 1.0 ND2 A:ASN337 4.5 18.1 1.0 CZ A:ARG418 4.5 21.4 1.0 CD A:LYS203 4.6 26.9 1.0 ND1 A:HIS27 4.7 16.7 1.0 NZ A:LYS203 4.9 27.3 1.0

Chlorine binding site 2 out of 3 in the Structure of Putative Glucarate Dehydratase From Acidaminococcus Sp. D21 with Unusual Static Disorder


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Putative Glucarate Dehydratase From Acidaminococcus Sp. D21 with Unusual Static Disorder within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:29.6 occ:1.00 O B:HOH799 3.2 16.3 1.0 O A:HOH822 3.3 18.3 1.0 NH1 A:ARG76 3.5 15.4 1.0 NH1 B:ARG76 3.6 17.0 1.0 NH2 B:ARG76 3.7 18.0 1.0 NH2 A:ARG76 3.7 15.6 1.0 CZ A:ARG76 4.1 15.3 1.0 CZ B:ARG76 4.1 17.0 1.0 CD2 B:LEU131 4.1 16.9 1.0 CD2 A:LEU131 4.3 19.9 1.0 CD2 B:LEU120 4.7 18.2 1.0 CD2 A:LEU120 4.8 18.0 1.0 O B:LEU131 4.8 15.3 1.0 O A:LEU131 4.9 16.3 1.0

Chlorine binding site 3 out of 3 in the Structure of Putative Glucarate Dehydratase From Acidaminococcus Sp. D21 with Unusual Static Disorder


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Putative Glucarate Dehydratase From Acidaminococcus Sp. D21 with Unusual Static Disorder within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:33.0 occ:1.00 NE2 B:HIS27 3.2 27.6 1.0 O B:HOH809 3.2 22.7 1.0 NE2 B:HIS364 3.2 21.0 1.0 O B:HOH838 3.3 34.6 1.0 CE1 B:HIS27 3.4 26.9 1.0 CZ B:PHE148 3.8 23.1 1.0 O B:HOH646 3.9 30.6 1.0 CE2 B:PHE148 3.9 23.8 1.0 CE1 B:HIS364 3.9 21.4 1.0 NH2 B:ARG418 4.0 53.9 1.0 CE B:LYS203 4.2 27.6 1.0 CD2 B:HIS364 4.3 21.1 1.0 CD2 B:HIS27 4.5 26.7 1.0 NH1 B:ARG418 4.5 64.9 1.0 CZ B:ARG418 4.6 60.2 1.0 NZ B:LYS203 4.7 27.0 1.0 ND1 B:HIS27 4.7 24.2 1.0 CG B:ASN22 5.0 37.9 1.0 OD1 B:ASN338 5.0 26.9 1.0

R.P.Hegde, R.Toro, S.K.Burley, S.C.Almo, U.A.Ramagopal, New York Structural Genomics Research Consortium (Nysgrc). Structure of Putative Glucarate Dehydratase From Acidaminococcus Sp. D21 with Unusual Static Disorder To Be Published.