Chlorine in PDB 3mog: Crystal Structure of 3-Hydroxybutyryl-Coa Dehydrogenase From Escherichia Coli K12 Substr. MG1655

All present enzymatic activity of Crystal Structure of 3-Hydroxybutyryl-Coa Dehydrogenase From Escherichia Coli K12 Substr. MG1655:
1.1.1.157;

The structure of Crystal Structure of 3-Hydroxybutyryl-Coa Dehydrogenase From Escherichia Coli K12 Substr. MG1655, PDB code: 3mog was solved by Y.Patskovsky, U.Ramagopal, R.Toro, M.Gilmore, S.Miller, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Research Center For Structuralgenomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.302, 145.753, 148.783, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 26.6

The binding sites of Chlorine atom in the Crystal Structure of 3-Hydroxybutyryl-Coa Dehydrogenase From Escherichia Coli K12 Substr. MG1655 (pdb code 3mog). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of 3-Hydroxybutyryl-Coa Dehydrogenase From Escherichia Coli K12 Substr. MG1655, PDB code: 3mog:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of 3-Hydroxybutyryl-Coa Dehydrogenase From Escherichia Coli K12 Substr. MG1655


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 3-Hydroxybutyryl-Coa Dehydrogenase From Escherichia Coli K12 Substr. MG1655 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl484 b:58.4 occ:1.00 ND2 A:ASN242 3.1 44.3 1.0 NH2 A:ARG196 3.4 70.3 1.0 CA A:ASN242 3.8 48.1 1.0 CG A:ASN242 4.0 49.4 1.0 CB A:ASN242 4.0 46.0 1.0 CG2 A:ILE237 4.1 44.7 1.0 CG2 A:VAL245 4.2 45.6 1.0 CD1 A:ILE237 4.2 48.8 1.0 CB A:VAL245 4.3 49.3 1.0 CZ A:ARG196 4.4 54.4 1.0 CE1 A:TYR199 4.4 55.4 1.0 NH1 A:ARG196 4.5 49.3 1.0 OH A:TYR199 4.5 57.8 1.0 N A:ASN242 4.5 47.0 1.0 O A:ASN242 4.6 45.8 1.0 O A:VAL241 4.7 50.8 1.0 CG1 A:VAL245 4.7 36.1 1.0 CZ A:TYR199 4.7 49.4 1.0 C A:ASN242 4.7 44.0 1.0 OD1 A:ASN192 4.8 54.2 1.0 C A:VAL241 4.9 48.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of 3-Hydroxybutyryl-Coa Dehydrogenase From Escherichia Coli K12 Substr. MG1655


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 3-Hydroxybutyryl-Coa Dehydrogenase From Escherichia Coli K12 Substr. MG1655 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl484 b:59.6 occ:1.00 ND2 B:ASN242 3.1 48.0 1.0 NH2 B:ARG196 3.5 72.8 1.0 CA B:ASN242 3.8 54.8 1.0 CD1 B:ILE237 3.8 55.4 1.0 CG2 B:ILE237 3.8 52.4 1.0 CB B:ASN242 3.9 53.5 1.0 CG B:ASN242 4.0 55.1 1.0 NH1 B:ARG196 4.3 60.5 1.0 CZ B:ARG196 4.4 69.8 1.0 OH B:TYR199 4.4 67.5 1.0 N B:ASN242 4.5 46.8 1.0 CB B:VAL245 4.5 53.1 1.0 CG2 B:VAL245 4.6 48.9 1.0 CG1 B:VAL245 4.6 50.2 1.0 CE1 B:TYR199 4.7 56.3 1.0 CZ B:TYR199 4.7 54.5 1.0 O B:ASN242 4.8 52.0 1.0 CB B:ILE237 4.8 57.4 1.0 CG1 B:ILE237 4.8 57.1 1.0 C B:ASN242 4.8 58.3 1.0 O B:VAL241 4.8 56.0 1.0 C B:VAL241 4.9 54.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of 3-Hydroxybutyryl-Coa Dehydrogenase From Escherichia Coli K12 Substr. MG1655


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 3-Hydroxybutyryl-Coa Dehydrogenase From Escherichia Coli K12 Substr. MG1655 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl484 b:65.1 occ:1.00 ND2 C:ASN242 3.2 42.1 1.0 NH2 C:ARG196 3.3 65.7 1.0 CA C:ASN242 3.7 47.9 1.0 O C:HOH612 3.7 70.2 1.0 CB C:ASN242 3.8 43.8 1.0 CG C:ASN242 3.9 47.5 1.0 CD1 C:ILE237 4.1 60.9 1.0 CG2 C:ILE237 4.1 52.4 1.0 CG2 C:VAL245 4.2 33.4 1.0 CB C:VAL245 4.2 51.7 1.0 CZ C:ARG196 4.3 59.0 1.0 NH1 C:ARG196 4.4 52.4 1.0 N C:ASN242 4.5 44.8 1.0 O C:ASN242 4.5 47.7 1.0 CG1 C:VAL245 4.6 50.0 1.0 C C:ASN242 4.6 47.1 1.0 CE1 C:TYR199 4.7 42.0 1.0 OH C:TYR199 4.7 54.6 1.0 O C:VAL241 4.8 58.6 1.0 CZ C:TYR199 4.8 50.8 1.0 OD1 C:ASN192 4.8 56.5 1.0 C C:VAL241 4.9 53.1 1.0

Y.Patskovsky, U.Ramagopal, R.Toro, M.Gilmore, S.Miller, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of 3-Hydroxybutyryl-Coa Dehydrogenase From Escherichia Coli K12 To Be Published.