Chlorine in PDB 3fdb: Crystal Structure of A Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 A Resolution

The structure of Crystal Structure of A Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 A Resolution, PDB code: 3fdb 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)	29.96 / 1.99
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.180, 69.180, 215.460, 90.00, 90.00, 120.00
R / Rfree (%)	14.7 / 17.5

The structure of Crystal Structure of A Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 A Resolution also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of A Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 A Resolution (pdb code 3fdb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of A Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 A Resolution, PDB code: 3fdb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of A Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 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 Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl378 b:68.9 occ:0.50 O A:GLY255 2.7 39.2 1.0 C A:GLY255 3.4 38.8 1.0 CB A:PRO87 3.5 42.6 1.0 CA A:GLY255 3.6 40.1 1.0 CG A:PRO87 4.1 41.0 1.0 CG A:LYS230 4.5 38.7 1.0 CE A:LYS230 4.5 45.0 1.0 CB A:LYS230 4.5 43.1 1.0 N A:ALA256 4.6 39.8 1.0 CA A:PRO87 4.7 38.3 1.0 NH2 A:ARG91 4.8 71.3 1.0 N A:GLY255 5.0 41.4 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of A Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 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 Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl379 b:48.0 occ:1.00 O A:HOH583 2.8 48.0 1.0 O A:HOH596 2.9 49.0 1.0 NH2 A:ARG351 3.1 43.3 1.0 N A:ALA30 3.2 40.6 1.0 O A:HOH506 3.4 40.4 1.0 NH1 A:ARG351 3.6 43.2 1.0 CB A:ALA30 3.7 39.1 1.0 CZ A:ARG351 3.8 46.5 1.0 O A:HOH632 3.8 51.6 1.0 CG2 A:VAL29 3.9 41.7 1.0 CA A:VAL29 4.0 39.7 1.0 CA A:ALA30 4.1 41.5 1.0 C A:VAL29 4.1 41.2 1.0 CE1 A:TYR114 4.1 42.1 1.0 C2 A:EDO389 4.3 59.1 1.0 CB A:VAL29 4.5 40.6 1.0 O2 A:EDO389 4.6 66.2 1.0 OH A:TYR114 4.6 43.4 1.0 CZ A:TYR114 4.9 48.3 1.0 CD1 A:TYR114 5.0 40.5 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of A Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl380 b:54.8 occ:1.00 O A:HOH491 3.1 38.6 1.0 N A:ALA39 3.4 39.4 1.0 SG A:CYS37 3.5 41.8 1.0 CD A:PRO38 3.6 41.2 1.0 N A:PRO38 3.8 39.8 1.0 CB A:ALA39 3.8 38.4 1.0 CB A:PRO38 3.8 41.8 1.0 CG A:PRO38 4.1 39.9 1.0 CA A:PRO38 4.2 39.7 1.0 O A:HOH692 4.2 56.9 1.0 C A:PRO38 4.2 40.6 1.0 CA A:ALA39 4.2 39.0 1.0 O A:TYR270 4.4 40.6 1.0 CB A:PHE274 4.4 40.4 1.0 C A:CYS37 4.4 40.3 1.0 O A:HOH755 4.7 63.4 1.0 CB A:CYS37 4.8 41.1 1.0 CA A:CYS37 4.8 39.9 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of A Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl381 b:68.1 occ:1.00 OD2 A:ASP88 2.6 48.6 1.0 NH2 A:ARG91 2.9 71.3 1.0 O A:HOH603 3.0 49.7 1.0 CZ A:ARG91 3.5 77.5 1.0 CG A:ASP88 3.5 49.9 1.0 OD1 A:ASP88 3.7 47.0 1.0 NE A:ARG91 3.7 63.5 1.0 CB A:ARG91 4.1 38.0 1.0 NZ A:LYS230 4.3 43.8 1.0 NH1 A:ARG91 4.4 84.6 1.0 CB A:PRO87 4.6 42.6 1.0 CE A:LYS230 4.7 45.0 1.0 O A:HOH693 4.7 56.9 1.0 CG A:PRO87 4.7 41.0 1.0 CG A:ARG91 4.8 40.5 1.0 CD A:ARG91 4.9 54.2 1.0 CB A:ASP88 4.9 41.5 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of A Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of A Putative Plp-Dependent Beta-Cystathionase (Aecd, DIP1736) From Corynebacterium Diphtheriae at 1.99 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl382 b:41.9 occ:1.00 ND2 A:ASN160 3.0 44.6 1.0 NH1 A:ARG351 3.0 43.2 1.0 O A:HOH632 3.4 51.6 1.0 CB A:ASN160 3.7 44.3 1.0 CE2 A:PHE342 3.7 39.6 1.0 CB A:PRO161 3.7 40.3 1.0 CD A:ARG351 3.7 37.5 1.0 CG A:ASN160 3.8 46.6 1.0 N A:PRO161 3.8 39.8 1.0 CD1 A:LEU310 3.9 38.5 1.0 CA A:PRO161 3.9 40.0 1.0 C A:ASN160 4.0 41.0 1.0 CD1 A:TYR114 4.0 40.5 1.0 CZ A:ARG351 4.1 46.5 1.0 CD A:PRO161 4.1 40.9 1.0 CG A:PRO161 4.3 42.5 1.0 NE A:ARG351 4.4 39.5 1.0 O A:ASN160 4.4 43.1 1.0 CA A:ASN160 4.4 41.5 1.0 CA A:TYR114 4.4 40.0 1.0 CD2 A:PHE342 4.5 37.4 1.0 CZ A:PHE342 4.6 37.3 1.0 CB A:TYR114 4.6 40.6 1.0 CG A:TYR114 4.8 41.0 1.0 CD A:PRO115 4.8 40.2 1.0 CE1 A:TYR114 4.9 42.1 1.0 N A:TYR114 4.9 38.6 1.0 OD1 A:ASN160 4.9 46.6 1.0 CG A:ARG351 5.0 37.6 1.0

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