Chlorine in PDB 6xu3: (R)-Selective Amine Transaminase From Shinella Sp.

The structure of (R)-Selective Amine Transaminase From Shinella Sp., PDB code: 6xu3 was solved by A.Telzerow, M.Hakansson, K.Steiner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.04 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.374, 82.118, 222.435, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 23

The binding sites of Chlorine atom in the (R)-Selective Amine Transaminase From Shinella Sp. (pdb code 6xu3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the (R)-Selective Amine Transaminase From Shinella Sp., PDB code: 6xu3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the (R)-Selective Amine Transaminase From Shinella Sp.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of (R)-Selective Amine Transaminase From Shinella Sp. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:61.4 occ:1.00 OD1 A:ASP259 2.5 35.6 1.0 H A:ASP260 2.9 31.6 1.0 OD1 A:ASP260 3.0 32.3 1.0 HA A:ASP259 3.0 38.5 1.0 HD3 A:ARG233 3.1 41.2 1.0 HH21 B:ARG233 3.3 46.3 1.0 HZ3 B:LYS234 3.4 52.3 1.0 O A:HOH517 3.4 46.4 1.0 NH2 B:ARG233 3.4 38.6 1.0 HB3 A:ARG233 3.4 35.0 1.0 HH22 B:ARG233 3.5 46.3 1.0 N A:ASP260 3.5 26.3 1.0 HD3 B:LYS234 3.5 50.5 1.0 HE2 B:LYS234 3.6 46.6 1.0 HH11 A:ARG233 3.7 62.1 1.0 CG A:ASP259 3.7 45.3 1.0 CA A:ASP259 3.8 32.1 1.0 HG2 A:LYS234 3.8 36.8 1.0 CG A:ASP260 3.8 26.6 1.0 O A:HOH562 3.8 24.5 1.0 CZ B:ARG233 3.9 49.3 1.0 CD A:ARG233 3.9 34.4 1.0 HD2 A:ARG233 4.0 41.2 1.0 C A:ASP259 4.0 36.8 1.0 NZ B:LYS234 4.1 43.6 1.0 CE B:LYS234 4.1 38.8 1.0 HB2 A:ARG233 4.1 35.0 1.0 CB A:ARG233 4.2 29.2 1.0 HE B:ARG233 4.2 68.2 1.0 CD B:LYS234 4.2 42.1 1.0 NE B:ARG233 4.3 56.9 1.0 CB A:ASP259 4.4 35.5 1.0 HZ1 B:LYS234 4.4 52.3 1.0 CA A:ASP260 4.4 29.5 1.0 HB2 A:ASP260 4.5 41.2 1.0 NH1 A:ARG233 4.5 51.8 1.0 CB A:ASP260 4.5 34.4 1.0 NH1 B:ARG233 4.5 41.2 1.0 CG A:ARG233 4.6 27.6 1.0 HA A:ASP260 4.6 35.4 1.0 HH12 B:ARG233 4.6 49.5 1.0 OD2 A:ASP260 4.6 36.6 1.0 HG3 A:LYS234 4.7 36.8 1.0 CG A:LYS234 4.7 30.6 1.0 HD3 A:LYS234 4.7 46.0 1.0 HG2 A:ARG233 4.8 33.1 1.0 HZ2 B:LYS234 4.8 52.3 1.0 OD2 A:ASP259 4.8 42.0 1.0 HD2 B:LYS234 4.9 50.5 1.0 HB2 A:ASP259 4.9 42.7 1.0 HG3 B:LYS234 4.9 40.2 1.0 HH12 A:ARG233 5.0 62.1 1.0 NE A:ARG233 5.0 45.4 1.0 O B:HOH638 5.0 38.5 1.0 H A:ARG233 5.0 33.3 1.0

Chlorine binding site 2 out of 2 in the (R)-Selective Amine Transaminase From Shinella Sp.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of (R)-Selective Amine Transaminase From Shinella Sp. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:63.9 occ:1.00 O C:ARG18 2.5 49.1 1.0 HB3 C:ALA21 2.9 49.1 1.0 HB2 C:LEU22 2.9 67.1 1.0 H C:LEU22 3.2 73.9 1.0 HB3 C:ARG18 3.4 60.6 1.0 HA C:ARG18 3.5 52.5 1.0 C C:ARG18 3.5 43.9 1.0 N C:LEU22 3.6 61.6 1.0 CB C:LEU22 3.8 55.9 1.0 CB C:ALA21 3.8 40.9 1.0 CA C:ARG18 3.9 43.7 1.0 HB1 C:ALA21 3.9 49.1 1.0 HA C:LEU22 4.0 67.8 1.0 HB3 C:LEU22 4.0 67.1 1.0 CA C:LEU22 4.1 56.5 1.0 HG3 C:ARG114 4.1 75.8 1.0 HB2 C:ARG114 4.1 74.5 1.0 CB C:ARG18 4.1 50.5 1.0 C C:ALA21 4.3 63.6 1.0 HD3 C:ARG114 4.4 81.1 1.0 HB2 C:ALA21 4.4 49.1 1.0 H C:ARG114 4.5 51.4 1.0 O C:GLY112 4.5 54.0 1.0 HD13 C:LEU22 4.5 51.3 1.0 CA C:ALA21 4.6 52.6 1.0 HA C:VAL19 4.6 74.5 1.0 N C:VAL19 4.6 46.2 1.0 HG2 C:ARG18 4.6 64.3 1.0 H C:ALA21 4.7 62.4 1.0 CG C:ARG114 4.8 63.1 1.0 HB2 C:ARG18 4.8 60.6 1.0 CB C:ARG114 4.9 62.1 1.0 CG C:ARG18 4.9 53.6 1.0 CG C:LEU22 5.0 55.8 1.0 HD22 C:LEU22 5.0 54.6 1.0 HD2 C:ARG18 5.0 64.0 1.0 N C:ALA21 5.0 52.0 1.0 CD C:ARG114 5.0 67.6 1.0

A.Telzerow, J.Paris, M.Hakansson, J.Gonzalez-Sabin, N.Rios-Lombardia, H.Groger, F.Moris, M.Schurmann, H.Schwab, K.Steiner. Expanding the Toolbox of (R)-Selective Amine Transaminases By Identification and Characterization of New Members. Chembiochem 2020.
ISSN: ESSN 1439-7633
PubMed: 33242357
DOI: 10.1002/CBIC.202000692