Chlorine in PDB 4h16: Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P6422

The structure of Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P6422, PDB code: 4h16 was solved by A.Ghosh, S.C.Almo, New York Structural Genomics Research Consortium(Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.29 / 2.00
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	129.200, 129.200, 103.500, 90.00, 90.00, 120.00
R / Rfree (%)	16.3 / 17.8

The structure of Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P6422 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P6422 (pdb code 4h16). 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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P6422, PDB code: 4h16:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P6422


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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P6422 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:54.8 occ:1.00 OE2 A:GLU3 3.1 85.9 1.0 NH1 A:ARG8 3.5 59.5 1.0 CD A:GLU3 3.7 78.3 1.0 CB A:ASN6 3.8 48.3 1.0 O A:LEU32 3.9 32.4 1.0 CA A:LEU32 4.0 28.4 1.0 CD2 A:LEU32 4.0 30.6 1.0 C A:LEU32 4.1 31.7 1.0 O A:LEU5 4.2 41.2 1.0 CG A:GLU3 4.2 68.7 1.0 O A:GLU31 4.3 32.0 1.0 CA A:ASN6 4.3 42.1 1.0 OE1 A:GLU3 4.4 75.8 1.0 CZ A:ARG8 4.7 58.9 1.0 CB A:LEU32 4.7 26.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P6422


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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P6422 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:52.7 occ:1.00 O A:HOH591 2.5 57.1 1.0 CG A:GLU187 3.3 72.4 1.0 O A:HOH554 3.3 43.6 1.0 N A:GLY20 3.4 23.7 1.0 N A:GLU187 3.4 47.8 1.0 CA A:GLY20 3.7 22.5 1.0 CB A:THR186 3.8 43.5 1.0 CA A:THR186 4.0 40.4 1.0 CB A:GLU187 4.1 65.4 1.0 O A:HOH561 4.2 47.8 1.0 C A:THR186 4.2 48.0 1.0 CB A:LYS19 4.2 37.2 1.0 CD A:GLU187 4.3 84.2 1.0 CG2 A:THR186 4.4 41.6 1.0 CA A:GLU187 4.4 54.8 1.0 C A:LYS19 4.5 26.1 1.0 CA A:LYS19 4.8 27.7 1.0 O A:HOH507 4.8 29.9 1.0 OE2 A:GLU187 4.8 85.6 1.0 CG A:LYS19 4.9 47.2 1.0 OG1 A:THR186 5.0 45.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P6422


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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P6422 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:22.2 occ:1.00 OG A:SER166 2.8 12.0 0.3 OG A:SER166 3.0 14.9 0.7 NZ A:LYS163 3.2 16.4 1.0 CB A:SER166 3.6 13.2 0.7 CB A:SER166 3.6 13.3 0.3 N A:LYS167 3.7 13.2 1.0 CA A:GLY246 3.7 11.4 1.0 C A:SER166 3.8 13.6 1.0 CG A:LYS167 3.8 16.8 1.0 CE A:LYS163 3.9 15.8 1.0 CA A:LYS167 4.0 17.6 1.0 O A:SER166 4.0 15.3 1.0 CD A:LYS163 4.1 15.7 1.0 CA A:SER166 4.3 13.8 0.7 CA A:SER166 4.3 13.9 0.3 O A:LYS163 4.4 14.2 1.0 N A:GLY246 4.4 12.4 1.0 CB A:LYS167 4.5 14.5 1.0 OG A:SER170 4.6 20.0 1.0 O A:GLY246 4.7 18.5 1.0 C A:GLY246 4.8 15.8 1.0 O A:THR245 4.9 14.6 1.0 C A:THR245 4.9 13.6 1.0

A.Ghosh, R.Bhoshle, R.Toro, A.Gizzi, B.Hillerich, R.Seidel, S.C.Almo, New York Structural Genomics Research Consortium. Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P6422 To Be Published.