Chlorine in PDB 8zpf: Sfx Reaction State Structure (0-20MIN) of Alanine Racemase

All present enzymatic activity of Sfx Reaction State Structure (0-20MIN) of Alanine Racemase:
5.1.1.1;

The structure of Sfx Reaction State Structure (0-20MIN) of Alanine Racemase, PDB code: 8zpf 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 (%)	19.6 / 24.6

The binding sites of Chlorine atom in the Sfx Reaction State Structure (0-20MIN) of Alanine Racemase (pdb code 8zpf). 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 (0-20MIN) of Alanine Racemase, PDB code: 8zpf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Sfx Reaction State Structure (0-20MIN) 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 (0-20MIN) of Alanine Racemase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:51.5 occ:1.00 NE A:ARG139 3.0 40.4 1.0 NH2 A:ARG139 3.3 48.3 1.0 O A:HOH505 3.5 45.3 1.0 CZ A:ARG139 3.6 44.4 1.0 O A:HOH524 3.7 46.6 1.0 CB A:ARG139 3.7 50.8 1.0 ND2 A:ASN132 3.9 44.1 1.0 N A:LEU140 4.0 49.5 1.0 CG A:ARG139 4.1 44.8 1.0 CD A:ARG139 4.1 45.0 1.0 O A:LEU140 4.1 46.5 1.0 CG A:MET137 4.3 50.0 1.0 CB A:LEU140 4.6 48.7 1.0 CB A:HIS169 4.6 45.3 1.0 CA A:LEU140 4.7 50.2 1.0 CB A:MET137 4.7 49.6 1.0 CA A:ARG139 4.8 45.2 1.0 C A:LEU140 4.8 51.2 1.0 CG A:ASN132 4.8 50.1 1.0 C A:ARG139 4.8 49.8 1.0 OD1 A:ASN132 4.9 50.2 1.0 NH1 A:ARG139 4.9 46.9 1.0

Chlorine binding site 2 out of 4 in the Sfx Reaction State Structure (0-20MIN) 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 (0-20MIN) of Alanine Racemase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl603 b:54.6 occ:1.00 NE B:ARG139 3.3 46.4 1.0 NH2 B:ARG139 3.5 56.0 1.0 ND2 B:ASN132 3.6 56.2 1.0 CB B:ARG139 3.8 48.2 1.0 N B:LEU140 3.8 51.1 1.0 CZ B:ARG139 3.9 49.6 1.0 O B:LEU140 3.9 48.3 1.0 CG B:ARG139 4.3 46.2 1.0 CD B:ARG139 4.4 45.5 1.0 CB B:LEU140 4.5 52.2 1.0 CA B:LEU140 4.5 51.0 1.0 C B:LEU140 4.6 51.4 1.0 CG B:ASN132 4.6 55.2 1.0 CG B:MET137 4.7 54.2 1.0 C B:ARG139 4.7 51.5 1.0 CD1 B:LEU140 4.8 46.8 1.0 CA B:ARG139 4.8 48.3 1.0 OD1 B:ASN132 4.8 53.9 1.0 CG B:LEU140 4.9 48.8 1.0

Chlorine binding site 3 out of 4 in the Sfx Reaction State Structure (0-20MIN) 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 (0-20MIN) of Alanine Racemase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:54.0 occ:1.00 NE C:ARG139 3.3 46.5 1.0 NH2 C:ARG139 3.5 56.8 1.0 CB C:ARG139 3.6 53.5 1.0 ND2 C:ASN132 3.7 48.9 1.0 N C:LEU140 3.8 45.1 1.0 CZ C:ARG139 3.8 52.3 1.0 O C:LEU140 4.0 52.7 1.0 CG C:ARG139 4.2 45.6 1.0 CD C:ARG139 4.3 49.9 1.0 CB C:LEU140 4.4 49.6 1.0 CG C:MET137 4.4 63.4 1.0 CA C:LEU140 4.5 54.0 1.0 C C:LEU140 4.6 56.1 1.0 CA C:ARG139 4.6 58.9 1.0 CG C:ASN132 4.7 51.5 1.0 C C:ARG139 4.7 52.4 1.0 OD1 C:ASN132 4.7 49.9 1.0 CB C:MET137 4.9 58.7 1.0 CB C:HIS169 4.9 58.4 1.0 CG C:LEU140 4.9 48.6 1.0 N C:ARG139 5.0 55.0 1.0

Chlorine binding site 4 out of 4 in the Sfx Reaction State Structure (0-20MIN) 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 (0-20MIN) of Alanine Racemase within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl403 b:48.5 occ:1.00 NE D:ARG139 3.4 49.0 1.0 NH2 D:ARG139 3.5 47.4 1.0 ND2 D:ASN132 3.6 40.5 1.0 O D:LEU140 3.7 47.3 1.0 N D:LEU140 3.8 43.8 1.0 CB D:ARG139 3.9 48.3 1.0 CZ D:ARG139 3.9 47.5 1.0 CB D:LEU140 4.2 38.4 1.0 CA D:LEU140 4.4 45.4 1.0 C D:LEU140 4.4 49.6 1.0 CG D:ARG139 4.5 48.5 1.0 CD D:ARG139 4.5 42.8 1.0 CG D:ASN132 4.6 45.9 1.0 OD1 D:ASN132 4.7 47.7 1.0 CG D:MET137 4.8 56.3 1.0 C D:ARG139 4.8 45.9 1.0 CA D:ARG139 4.9 46.9 1.0 CB D:HIS169 4.9 47.1 1.0

J.Kim, K.H.Nam, Y.Cho. Sfx Reaction State Structure (0-20MIN) of Alanine Racemase To Be Published.