Chlorine in PDB 3krt: Crystal Structure of Putative Crotonyl Coa Reductase From Streptomyces Coelicolor A3(2)

The structure of Crystal Structure of Putative Crotonyl Coa Reductase From Streptomyces Coelicolor A3(2), PDB code: 3krt was solved by V.N.Malashkevich, Y.Patskovsky, R.Toro, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Research Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.19
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.530, 117.670, 187.180, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 23.8

The binding sites of Chlorine atom in the Crystal Structure of Putative Crotonyl Coa Reductase From Streptomyces Coelicolor A3(2) (pdb code 3krt). 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 Putative Crotonyl Coa Reductase From Streptomyces Coelicolor A3(2), PDB code: 3krt:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Putative Crotonyl Coa Reductase From Streptomyces Coelicolor A3(2)


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 Putative Crotonyl Coa Reductase From Streptomyces Coelicolor A3(2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:35.5 occ:1.00 NH2 A:ARG170 3.2 29.1 1.0 CE1 A:HIS114 3.4 25.4 1.0 NH2 A:ARG113 3.4 32.0 1.0 NH1 A:ARG170 3.4 29.4 1.0 O A:LEU110 3.4 35.9 1.0 CA A:ALA111 3.6 35.5 1.0 C A:LEU110 3.7 35.9 1.0 ND1 A:HIS114 3.7 26.5 1.0 N A:ALA111 3.8 35.4 1.0 CZ A:ARG170 3.8 30.3 1.0 CB A:ALA111 4.4 35.8 1.0 CB A:LEU110 4.4 37.5 1.0 CZ A:ARG113 4.5 31.7 1.0 NE2 A:HIS114 4.6 25.2 1.0 CE2 A:TYR104 4.6 41.0 1.0 O A:HOH535 4.7 38.5 1.0 CA A:LEU110 4.7 36.9 1.0 C A:ALA111 4.7 35.3 1.0 OE2 A:GLU72 4.7 27.1 1.0 NE A:ARG113 4.7 31.3 1.0 O A:ALA111 5.0 35.4 1.0 NZ A:LYS188 5.0 28.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Putative Crotonyl Coa Reductase From Streptomyces Coelicolor A3(2)


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 Putative Crotonyl Coa Reductase From Streptomyces Coelicolor A3(2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:35.1 occ:1.00 NH2 B:ARG113 2.9 23.4 1.0 NE2 B:HIS114 3.3 23.4 1.0 NH2 B:ARG170 3.3 24.2 1.0 O B:LEU110 3.5 31.2 1.0 CD2 B:HIS114 3.6 22.4 1.0 NH1 B:ARG170 3.7 24.0 1.0 C B:LEU110 3.7 32.0 1.0 CA B:ALA111 3.8 30.4 1.0 O B:HOH576 3.8 46.0 1.0 N B:ALA111 3.9 30.9 1.0 CZ B:ARG170 4.0 24.8 1.0 CZ B:ARG113 4.1 28.2 1.0 CB B:LEU110 4.3 35.1 1.0 NE B:ARG113 4.4 23.7 1.0 OE2 B:GLU72 4.4 27.2 1.0 CE1 B:HIS114 4.5 20.8 1.0 CB B:ALA111 4.6 30.1 1.0 CA B:LEU110 4.7 34.4 1.0 CE2 B:TYR104 4.9 35.8 1.0 C B:ALA111 4.9 29.9 1.0 CG B:HIS114 4.9 21.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Putative Crotonyl Coa Reductase From Streptomyces Coelicolor A3(2)


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 Putative Crotonyl Coa Reductase From Streptomyces Coelicolor A3(2) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:34.0 occ:1.00 NH2 C:ARG113 3.1 34.6 1.0 NH2 C:ARG170 3.2 31.6 1.0 NE2 C:HIS114 3.3 33.2 1.0 O C:LEU110 3.4 42.9 1.0 CD2 C:HIS114 3.5 34.2 1.0 NH1 C:ARG170 3.6 31.8 1.0 C C:LEU110 3.7 43.2 1.0 CA C:ALA111 3.7 40.8 1.0 N C:ALA111 3.8 42.0 1.0 CZ C:ARG170 3.9 32.6 1.0 CZ C:ARG113 4.3 37.7 1.0 CB C:LEU110 4.4 45.7 1.0 CE1 C:HIS114 4.6 33.2 1.0 CE2 C:TYR104 4.6 43.2 1.0 CB C:ALA111 4.6 40.7 1.0 CA C:LEU110 4.7 45.0 1.0 NE C:ARG113 4.7 35.0 1.0 OE2 C:GLU72 4.7 50.7 1.0 C C:ALA111 4.8 39.6 1.0 CG C:HIS114 4.8 32.6 1.0 O C:ALA111 5.0 39.0 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Putative Crotonyl Coa Reductase From Streptomyces Coelicolor A3(2)


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 Putative Crotonyl Coa Reductase From Streptomyces Coelicolor A3(2) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl501 b:30.6 occ:1.00 NH2 D:ARG113 3.2 32.0 1.0 NE2 D:HIS114 3.2 22.8 1.0 NH2 D:ARG170 3.3 27.0 1.0 NH1 D:ARG170 3.4 27.2 1.0 O D:LEU110 3.6 29.8 1.0 CD2 D:HIS114 3.7 23.1 1.0 C D:LEU110 3.8 30.7 1.0 CA D:ALA111 3.8 30.6 1.0 N D:ALA111 3.8 30.9 1.0 CZ D:ARG170 3.8 32.2 1.0 CB D:LEU110 4.3 32.8 1.0 CZ D:ARG113 4.3 28.6 1.0 CE1 D:HIS114 4.4 22.4 1.0 OE2 D:GLU72 4.4 44.9 1.0 CB D:ALA111 4.5 30.9 1.0 NE D:ARG113 4.7 31.4 1.0 CA D:LEU110 4.7 31.5 1.0 C D:ALA111 4.9 31.5 1.0

V.N.Malashkevich, Y.Patskovsky, R.Toro, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of Putative Crotonyl Coa Reductase From Streptomyces Coelicolor A3(2) To Be Published.