Chlorine in PDB 4j6f: Crystal Structure of Putative Alcohol Dehydrogenase From Sinorhizobium Meliloti 1021, Nysgrc-Target 012230

All present enzymatic activity of Crystal Structure of Putative Alcohol Dehydrogenase From Sinorhizobium Meliloti 1021, Nysgrc-Target 012230:
1.1.1.1;

The structure of Crystal Structure of Putative Alcohol Dehydrogenase From Sinorhizobium Meliloti 1021, Nysgrc-Target 012230, PDB code: 4j6f was solved by V.N.Malashkevich, R.Bhosle, R.Toro, B.Hillerich, A.Gizzi, S.Garforth, A.Kar, M.K.Chan, J.Lafluer, H.Patel, B.Matikainen, S.Chamala, S.Lim, A.Celikgil, G.Villegas, B.Evans, J.Love, A.Fiser, K.Khafizov, R.Seidel, J.B.Bonanno, S.C.Almo, New York Structural Genomics Researchconsortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.97 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	89.115, 95.666, 134.472, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 20.3

The binding sites of Chlorine atom in the Crystal Structure of Putative Alcohol Dehydrogenase From Sinorhizobium Meliloti 1021, Nysgrc-Target 012230 (pdb code 4j6f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Putative Alcohol Dehydrogenase From Sinorhizobium Meliloti 1021, Nysgrc-Target 012230, PDB code: 4j6f:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Putative Alcohol Dehydrogenase From Sinorhizobium Meliloti 1021, Nysgrc-Target 012230


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 Alcohol Dehydrogenase From Sinorhizobium Meliloti 1021, Nysgrc-Target 012230 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:41.9 occ:1.00 OH A:TYR296 3.1 28.7 1.0 N B:ALA282 3.2 32.4 1.0 CG A:ARG293 3.7 25.8 1.0 O B:ALA282 3.7 35.3 1.0 CB B:PRO286 3.8 28.8 1.0 CE2 A:TYR296 3.9 28.3 1.0 CZ A:TYR296 4.0 29.7 1.0 CA B:ALA282 4.0 31.7 1.0 CD A:ARG293 4.0 25.1 1.0 C B:ALA282 4.0 33.0 1.0 CA B:GLY281 4.0 33.8 1.0 CH2 B:TRP56 4.1 41.3 1.0 C B:GLY281 4.1 34.9 1.0 CB B:ALA282 4.1 31.7 1.0 CZ3 B:TRP56 4.2 39.0 1.0 CG B:PRO286 4.4 28.4 1.0 CZ2 B:TRP56 4.5 39.4 1.0 CE3 B:TRP56 4.7 33.2 1.0 CA B:PRO286 4.8 28.2 1.0 N B:ILE283 4.9 31.5 1.0 CE2 B:TRP56 4.9 34.2 1.0 CD B:PRO286 4.9 28.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Putative Alcohol Dehydrogenase From Sinorhizobium Meliloti 1021, Nysgrc-Target 012230


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 Alcohol Dehydrogenase From Sinorhizobium Meliloti 1021, Nysgrc-Target 012230 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:34.9 occ:1.00 OH B:TYR296 3.0 21.0 1.0 N A:ALA282 3.2 26.8 1.0 O A:ALA282 3.6 37.8 1.0 CE2 B:TYR296 3.7 21.3 1.0 CG B:ARG293 3.7 24.1 1.0 CZ B:TYR296 3.8 21.6 1.0 CB A:PRO286 3.9 27.1 1.0 CD B:ARG293 4.0 26.5 1.0 CA A:GLY281 4.0 26.1 1.0 CA A:ALA282 4.0 28.9 1.0 C A:ALA282 4.0 32.4 1.0 C A:GLY281 4.1 26.8 1.0 CH2 A:TRP56 4.1 37.1 1.0 CG A:PRO286 4.2 27.1 1.0 CB A:ALA282 4.2 28.8 1.0 CZ3 A:TRP56 4.3 37.0 1.0 CZ2 A:TRP56 4.5 34.6 1.0 CE3 A:TRP56 4.7 31.5 1.0 CA A:PRO286 4.9 27.4 1.0 CE2 A:TRP56 4.9 31.2 1.0 CD2 B:TYR296 5.0 22.4 1.0

V.N.Malashkevich, R.Bhosle, R.Toro, B.Hillerich, A.Gizzi, S.Garforth, A.Kar, M.K.Chan, J.Lafluer, H.Patel, B.Matikainen, S.Chamala, S.Lim, A.Celikgil, G.Villegas, B.Evans, J.Love, A.Fiser, K.Khafizov, R.Seidel, J.B.Bonanno, S.C.Almo. Crystal Structure of Putative Alcohol Dehydrogenase From Sinorhizobium Meliloti 1021, Nysgrc-Target 012230 To Be Published.