Chlorine in PDB 8sa7: Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (C2 Form)

All present enzymatic activity of Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (C2 Form):
4.4.1.8;

The structure of Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (C2 Form), PDB code: 8sa7 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.44 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	87.291, 131.297, 82.686, 90, 104.26, 90
R / Rfree (%)	14 / 15.8

The structure of Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (C2 Form) also contains other interesting chemical elements:

Bromine

(Br)

11 atoms

The binding sites of Chlorine atom in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (C2 Form) (pdb code 8sa7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (C2 Form), PDB code: 8sa7:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (C2 Form)


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 Cystathionine Beta Lyase From Klebsiella Aerogenes (C2 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:38.8 occ:1.00 O A:TYR338 2.6 17.3 0.4 O A:HOH511 3.0 40.0 1.0 NH2 A:ARG372 3.3 14.3 0.6 N A:SER339 3.4 21.3 0.6 NH1 A:ARG372 3.7 17.3 0.6 C A:TYR338 3.8 15.4 0.4 CD1 A:TRP340 4.0 19.1 1.0 NE1 A:TRP340 4.0 20.4 1.0 CZ A:ARG372 4.0 16.1 0.6 CA A:SER339 4.0 25.2 0.6 NH2 A:ARG372 4.1 21.4 0.4 O A:HOH833 4.2 20.4 1.0 CE1 A:TYR111 4.3 18.1 1.0 CB A:TYR338 4.3 18.5 0.6 C A:TYR338 4.4 19.1 0.6 C4A A:PLP410 4.5 17.9 1.0 OH A:TYR111 4.5 20.4 1.0 CA A:TYR338 4.5 20.1 0.6 CA A:TYR338 4.5 15.7 0.4 NZ A:LYS210 4.5 31.8 1.0 O3 A:PLP410 4.6 19.5 1.0 CD1 A:TYR338 4.7 26.2 0.6 C A:SER339 4.7 20.8 0.6 CB A:TYR338 4.7 16.9 0.4 O A:SER339 4.7 17.0 0.6 N A:SER339 4.7 15.4 0.4 O A:HOH579 4.7 21.7 1.0 CA A:SER339 4.8 15.3 0.4 CZ A:TYR111 4.9 17.9 1.0 CD1 A:TYR338 4.9 18.5 0.4

Chlorine binding site 2 out of 3 in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (C2 Form)


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 Cystathionine Beta Lyase From Klebsiella Aerogenes (C2 Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:27.1 occ:1.00 O B:TYR338 2.6 33.6 0.3 N B:SER339 3.3 24.6 0.7 NH2 B:ARG372 3.4 24.9 1.0 O B:HOH776 3.5 40.8 1.0 C B:TYR338 3.7 20.5 0.3 NH1 B:ARG372 3.8 25.0 1.0 CA B:SER339 3.9 26.5 0.7 CD1 B:TRP340 3.9 22.2 1.0 NE1 B:TRP340 4.0 24.1 1.0 CZ B:ARG372 4.0 22.8 1.0 C4A B:PLP406 4.2 21.2 1.0 O B:HOH761 4.3 25.1 1.0 CE1 B:TYR111 4.3 22.4 1.0 CB B:TYR338 4.4 19.3 0.7 C B:TYR338 4.4 23.1 0.7 CD1 B:TYR338 4.4 24.7 0.7 O3 B:PLP406 4.4 24.2 1.0 NZ B:LYS210 4.5 33.5 1.0 CA B:TYR338 4.5 24.9 0.3 CA B:TYR338 4.5 19.9 0.7 CD1 B:TYR338 4.5 33.7 0.3 CA B:SER339 4.5 17.9 0.3 N B:SER339 4.5 18.1 0.3 OH B:TYR111 4.5 25.1 1.0 CB B:TYR338 4.5 24.7 0.3 C B:SER339 4.6 22.3 0.7 O B:SER339 4.7 20.3 0.7 O B:HOH588 4.7 24.5 1.0 CG B:TYR338 4.9 20.0 0.7 CZ B:TYR111 4.9 21.2 1.0 C B:SER339 5.0 20.2 0.3

Chlorine binding site 3 out of 3 in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (C2 Form)


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 Cystathionine Beta Lyase From Klebsiella Aerogenes (C2 Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:41.1 occ:1.00 NH1 B:ARG16 3.1 66.3 1.0 N B:LYS18 3.2 22.7 1.0 CB B:LYS18 3.7 33.0 1.0 N B:LYS17 3.8 28.2 1.0 CG B:LYS18 3.8 30.3 1.0 CB B:ARG16 4.0 34.4 1.0 CA B:LYS18 4.0 26.8 1.0 C B:LYS17 4.1 23.9 1.0 CB B:LYS17 4.2 29.1 1.0 CA B:LYS17 4.2 27.1 1.0 CZ B:ARG16 4.3 59.9 1.0 C B:ARG16 4.4 26.4 1.0 CD B:LYS18 4.4 36.4 1.0 CD B:ARG16 4.5 45.9 1.0 CA B:ARG16 4.7 31.2 1.0 NE B:ARG16 4.8 40.3 1.0 CG B:ARG16 4.8 55.2 1.0

L.Liu, S.Lovell, K.P.Battaile, A.Cooper. Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (C2 Form) To Be Published.