Chlorine in PDB 9jt7: Sfx Reaction State Structure (0-60MIN) of Alanine Racemase

All present enzymatic activity of Sfx Reaction State Structure (0-60MIN) of Alanine Racemase:
5.1.1.1;

The structure of Sfx Reaction State Structure (0-60MIN) of Alanine Racemase, PDB code: 9jt7 was solved by J.Kim, K.H.Nam, Y.Cho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.32 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	90.2, 112.9, 91.8, 90, 114, 90
R / Rfree (%)	18.5 / 23.3

The binding sites of Chlorine atom in the Sfx Reaction State Structure (0-60MIN) of Alanine Racemase (pdb code 9jt7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Sfx Reaction State Structure (0-60MIN) of Alanine Racemase, PDB code: 9jt7:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Sfx Reaction State Structure (0-60MIN) of Alanine Racemase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sfx Reaction State Structure (0-60MIN) of Alanine Racemase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:52.2 occ:1.00 NE A:ARG139 3.0 38.9 1.0 NH2 A:ARG139 3.3 45.7 1.0 O A:HOH502 3.5 45.1 1.0 CZ A:ARG139 3.6 42.5 1.0 CB A:ARG139 3.8 47.3 1.0 ND2 A:ASN132 3.8 44.7 1.0 O A:HOH526 3.9 46.2 1.0 N A:LEU140 3.9 45.4 1.0 CG A:ARG139 4.1 41.9 1.0 CD A:ARG139 4.1 42.1 1.0 O A:LEU140 4.2 43.5 1.0 CG A:MET137 4.4 51.3 1.0 CB A:LEU140 4.5 43.6 1.0 CA A:LEU140 4.6 44.1 1.0 CB A:HIS169 4.7 42.6 1.0 CA A:ARG139 4.8 42.1 1.0 C A:LEU140 4.8 46.8 1.0 CB A:MET137 4.8 44.3 1.0 C A:ARG139 4.8 46.0 1.0 CG A:ASN132 4.8 48.9 1.0 OD1 A:ASN132 4.9 49.5 1.0 NH1 A:ARG139 4.9 43.0 1.0

Chlorine binding site 2 out of 4 in the Sfx Reaction State Structure (0-60MIN) of Alanine Racemase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Sfx Reaction State Structure (0-60MIN) of Alanine Racemase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl603 b:51.9 occ:1.00 NE B:ARG139 3.3 39.5 1.0 NH2 B:ARG139 3.4 49.4 1.0 ND2 B:ASN132 3.5 53.2 1.0 CZ B:ARG139 3.8 47.0 1.0 N B:LEU140 3.9 47.1 1.0 CB B:ARG139 3.9 45.7 1.0 O B:LEU140 3.9 47.6 1.0 CD B:ARG139 4.4 43.4 1.0 CG B:ARG139 4.5 42.8 1.0 CB B:LEU140 4.5 46.5 1.0 CG B:ASN132 4.5 53.0 1.0 CA B:LEU140 4.5 46.0 1.0 C B:LEU140 4.6 49.2 1.0 CG B:MET137 4.6 51.5 1.0 OD1 B:ASN132 4.7 49.1 1.0 C B:ARG139 4.8 47.2 1.0 CA B:ARG139 4.8 43.7 1.0 CD1 B:LEU140 4.9 45.5 1.0 CB B:HIS169 4.9 49.1 1.0 C2A B:PLP602 5.0 56.5 1.0

Chlorine binding site 3 out of 4 in the Sfx Reaction State Structure (0-60MIN) of Alanine Racemase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Sfx Reaction State Structure (0-60MIN) of Alanine Racemase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl403 b:52.5 occ:1.00 NE C:ARG139 3.3 45.3 1.0 NH2 C:ARG139 3.6 52.9 1.0 CB C:ARG139 3.6 51.0 1.0 ND2 C:ASN132 3.6 50.2 1.0 N C:LEU140 3.8 43.6 1.0 CZ C:ARG139 3.9 49.5 1.0 O C:LEU140 4.0 52.4 1.0 CG C:ARG139 4.2 45.8 1.0 CD C:ARG139 4.4 49.6 1.0 CB C:LEU140 4.4 43.9 1.0 CA C:LEU140 4.5 48.5 1.0 CG C:MET137 4.5 58.8 1.0 C C:LEU140 4.6 52.0 1.0 CA C:ARG139 4.6 53.6 1.0 CG C:ASN132 4.7 51.8 1.0 C C:ARG139 4.7 49.5 1.0 OD1 C:ASN132 4.8 48.9 1.0 CB C:HIS169 4.9 57.7 1.0 CG C:LEU140 5.0 47.2 1.0 N C:ARG139 5.0 52.6 1.0 CB C:MET137 5.0 56.8 1.0

Chlorine binding site 4 out of 4 in the Sfx Reaction State Structure (0-60MIN) of Alanine Racemase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Sfx Reaction State Structure (0-60MIN) of Alanine Racemase within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl403 b:48.4 occ:1.00 NE D:ARG139 3.4 43.5 1.0 NH2 D:ARG139 3.6 41.5 1.0 O D:HOH513 3.6 41.5 1.0 ND2 D:ASN132 3.7 42.6 1.0 O D:LEU140 3.8 44.7 1.0 N D:LEU140 3.9 41.1 1.0 CB D:ARG139 3.9 43.4 1.0 CZ D:ARG139 4.0 42.3 1.0 CB D:LEU140 4.4 37.1 1.0 CG D:ARG139 4.4 44.6 1.0 CA D:LEU140 4.5 41.1 1.0 CD D:ARG139 4.5 37.5 1.0 C D:LEU140 4.5 46.0 1.0 CG D:ASN132 4.7 44.9 1.0 CG D:MET137 4.7 53.2 1.0 OD1 D:ASN132 4.7 44.6 1.0 CB D:HIS169 4.8 42.5 1.0 C D:ARG139 4.9 42.8 1.0 CA D:ARG139 4.9 41.1 1.0

J.Kim, K.H.Nam, Y.Cho. Sfx Reaction Structure (0-60MIN) of Alanine Racemase To Be Published.