Chlorine in PDB 4r1m: Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.48 A Resolution

The structure of Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.48 A Resolution, PDB code: 4r1m was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.89 / 2.48
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	127.060, 211.870, 72.250, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20

The structure of Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.48 A Resolution also contains other interesting chemical elements:

Zinc	(Zn)	4 atoms
Sodium	(Na)	4 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.48 A Resolution (pdb code 4r1m). 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 A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.48 A Resolution, PDB code: 4r1m:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.48 A Resolution


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 Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.48 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl504 b:59.5 occ:1.00 NH2 C:ARG85 2.9 53.6 1.0 NH1 C:ARG85 3.5 46.1 1.0 CZ C:ARG85 3.6 66.5 1.0 CE C:LYS84 3.7 80.3 1.0 CD C:LYS84 4.1 71.2 1.0 NZ C:LYS84 4.2 88.0 1.0 CG C:LYS84 4.2 72.3 1.0 NE C:ARG85 4.9 56.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.48 A Resolution


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 Hypothetical Acyl-Coa Ligase (BT_0428) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.48 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:90.6 occ:1.00 NH1 C:ARG190 3.0 96.2 0.5 OG C:SER166 3.3 76.2 1.0 NH2 C:ARG190 3.3 94.8 0.5 CZ C:ARG190 3.5 1.0 0.5 N C:SER166 3.7 60.0 1.0 CB C:SER166 3.9 65.8 1.0 N C:ASN165 4.2 63.8 1.0 CA C:SER166 4.4 60.4 1.0 CA C:ASN165 4.5 63.2 1.0 NE C:ARG190 4.6 94.7 0.5 C C:ASN165 4.6 64.1 1.0 CE1 C:TYR187 4.9 71.2 1.0 OH C:TYR187 4.9 77.9 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.