Chlorine in PDB 8u99: Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (Plp-Serine Adduct)

All present enzymatic activity of Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (Plp-Serine Adduct):
4.4.1.8;

The structure of Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (Plp-Serine Adduct), PDB code: 8u99 was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural 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)	42.06 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	87.814, 131.172, 82.672, 90, 103.93, 90
R / Rfree (%)	16.6 / 20.7

The binding sites of Chlorine atom in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (Plp-Serine Adduct) (pdb code 8u99). 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 (Plp-Serine Adduct), PDB code: 8u99:
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 (Plp-Serine Adduct)


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 (Plp-Serine Adduct) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:39.7 occ:1.00 O A:HOH803 2.6 39.7 1.0 O A:HOH742 3.2 24.8 1.0 OH A:TYR238 3.2 21.1 1.0 CE2 A:TYR238 3.4 18.7 1.0 NE A:ARG59 3.6 14.0 1.0 CE2 A:PHE55 3.6 18.1 1.0 CZ A:TYR238 3.6 18.9 1.0 NE A:ARG49 3.7 23.5 1.0 NH2 A:ARG59 3.7 16.8 1.0 O A:HOH754 3.8 35.7 1.0 CD A:ARG49 3.9 24.4 1.0 CZ A:ARG59 4.1 20.0 1.0 CZ A:PHE55 4.3 16.9 1.0 CD2 A:PHE55 4.4 17.0 1.0 O A:HOH796 4.5 40.2 1.0 O A:HOH831 4.5 18.9 1.0 CD2 A:TYR238 4.5 13.7 1.0 CG A:ARG59 4.5 12.4 1.0 CD A:ARG59 4.6 15.2 1.0 CZ A:ARG49 4.8 34.9 1.0 CG A:ARG49 4.8 20.2 1.0 CE1 A:TYR238 4.9 12.8 1.0 O A:HOH839 4.9 19.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (Plp-Serine Adduct)


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 (Plp-Serine Adduct) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:43.1 occ:1.00 NE B:ARG47 3.3 31.0 1.0 O B:HOH698 3.6 44.1 1.0 CG B:ARG47 3.8 32.5 1.0 NH2 B:ARG47 3.9 35.1 1.0 CZ B:ARG47 4.0 39.6 1.0 CD B:ARG47 4.1 25.0 1.0 CB B:ARG47 4.3 29.8 1.0 CA B:ARG47 4.5 32.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (Plp-Serine Adduct)


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 (Plp-Serine Adduct) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:50.1 occ:1.00 O B:HOH653 3.3 39.1 1.0 OH B:TYR238 3.3 25.6 1.0 O B:HOH689 3.4 45.5 1.0 NE B:ARG59 3.4 26.4 1.0 NH2 B:ARG59 3.5 37.7 1.0 NE B:ARG49 3.5 32.5 1.0 CE2 B:TYR238 3.6 29.6 1.0 CE2 B:PHE55 3.6 35.4 1.0 CD B:ARG49 3.6 29.3 1.0 CZ B:TYR238 3.8 27.0 1.0 CZ B:ARG59 3.9 33.0 1.0 CZ B:PHE55 4.2 33.0 1.0 CD2 B:PHE55 4.4 28.9 1.0 CG B:ARG59 4.5 29.4 1.0 CD B:ARG59 4.5 38.3 1.0 CG B:ARG49 4.6 28.0 1.0 CD2 B:TYR238 4.6 24.9 1.0 O B:HOH711 4.6 37.6 1.0 CZ B:ARG49 4.7 41.5 1.0 CE1 B:TYR238 5.0 24.8 1.0

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