Chlorine in PDB 8duy: Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae

Enzymatic activity of Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae

All present enzymatic activity of Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae:
4.4.1.8;

Protein crystallography data

The structure of Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae, PDB code: 8duy 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) 45.91 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 82.61, 131.14, 85.44, 90, 99.93, 90
R / Rfree (%) 16.3 / 19.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae (pdb code 8duy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae, PDB code: 8duy:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 8duy

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Chlorine binding site 1 out of 8 in the Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae


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 Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl400

b:32.1
occ:1.00
 O A:HOH816 3.0 36.2 1.0
N A:GLU179 3.1 16.9 1.0
C A:ALA177 3.4 20.8 1.0
N A:PRO178 3.5 21.2 1.0
CA A:ALA177 3.5 18.9 1.0
CB A:GLU179 3.5 25.1 1.0
CD A:PRO178 3.6 19.9 1.0
CA A:GLU179 3.6 18.4 1.0
CB A:ALA177 3.6 20.0 1.0
N A:ALA180 3.9 14.6 1.0
C A:GLU179 3.9 18.3 1.0
O A:ALA177 4.0 18.0 1.0
C A:PRO178 4.1 18.7 1.0
OE1 A:GLU179 4.2 38.1 1.0
CA A:PRO178 4.3 22.1 1.0
O A:GLU179 4.7 18.8 1.0
CG A:PRO178 4.8 24.5 1.0
CG A:GLU179 4.8 31.4 1.0
CB A:PRO178 4.9 24.4 1.0
CA A:ALA180 4.9 15.1 1.0
N A:ALA177 4.9 17.8 1.0
CD A:GLU179 5.0 36.6 1.0

Chlorine binding site 2 out of 8 in 8duy

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Chlorine binding site 2 out of 8 in the Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae


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 Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:22.6
occ:1.00
 O A:HOH540 2.7 30.8 1.0
O A:HOH665 2.9 25.7 1.0
O A:HOH840 3.1 28.1 1.0
NH2 A:ARG372 3.1 15.3 1.0
N A:SER339 3.2 16.7 1.0
O2 A:MPD402 3.2 39.4 1.0
NH1 A:ARG372 3.8 13.5 1.0
CA A:SER339 3.8 14.2 1.0
CZ A:ARG372 3.9 15.4 1.0
CD1 A:TYR338 3.9 17.2 1.0
CB A:TYR338 4.0 12.6 1.0
CD1 A:TRP340 4.1 14.8 1.0
CA A:TYR338 4.1 9.9 1.0
C A:TYR338 4.1 16.5 1.0
O A:HOH830 4.2 15.7 1.0
NE1 A:TRP340 4.3 14.4 1.0
CG A:TYR338 4.5 16.3 1.0
O A:SER339 4.5 17.1 1.0
C A:SER339 4.5 17.2 1.0
CE1 A:TYR111 4.5 13.9 1.0
C2 A:MPD402 4.7 34.6 1.0
OH A:TYR111 4.8 19.0 1.0
O A:HOH641 4.9 11.2 1.0
NZ A:LLP210 4.9 22.8 1.0
C4' A:LLP210 5.0 20.3 1.0
C5 A:MPD402 5.0 29.1 1.0

Chlorine binding site 3 out of 8 in 8duy

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Chlorine binding site 3 out of 8 in the Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae


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 Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl400

b:54.4
occ:1.00
 N B:GLU179 3.2 20.1 1.0
CB B:GLU179 3.3 29.6 1.0
CA B:ALA177 3.5 22.7 1.0
C B:ALA177 3.5 23.0 1.0
CA B:GLU179 3.6 25.3 1.0
CB B:ALA177 3.7 22.7 1.0
N B:PRO178 3.7 25.9 1.0
O B:ALA177 4.0 23.0 1.0
CD B:PRO178 4.0 28.1 1.0
N B:ALA180 4.0 18.0 1.0
C B:GLU179 4.0 21.6 1.0
C B:PRO178 4.3 23.3 1.0
CG B:PRO178 4.6 26.2 1.0
CA B:PRO178 4.6 24.5 1.0
O B:GLU179 4.9 23.7 1.0
N B:ALA177 4.9 24.2 1.0

Chlorine binding site 4 out of 8 in 8duy

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Chlorine binding site 4 out of 8 in the Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae


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 Cystathionine Beta-Lyase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:30.1
occ:1.00
 O B:HOH790 2.7 25.9 1.0
O B:HOH737 2.7 26.6 1.0
NH2 B:ARG372 3.2 14.8 1.0
N B:SER339 3.2 13.6 1.0
NH1 B:ARG372 3.7 13.3 1.0
CA B:SER339 3.8 17.0 1.0
CZ B:ARG372 3.9 16.9 1.0
CD1 B:TYR338 4.0 18.3 1.0
CD1 B:TRP340 4.0 15.3 1.0
CB B:TYR338 4.1 16.9 1.0
NE1 B:TRP340 4.2 15.6 1.0
C B:TYR338 4.2 19.3 1.0
CA B:TYR338 4.2 18.2 1.0
O B:HOH821 4.4 22.6 1.0
C B:SER339 4.5 19.9 1.0
CG B:TYR338 4.5 18.0 1.0
O B:SER339 4.5 16.7 1.0
CE1 B:TYR111 4.6 16.1 1.0
OH B:TYR111 4.7 15.4 1.0
C4' B:LLP210 4.8 26.1 1.0
O B:HOH873 4.8 25.0 1.0
NZ B:LLP210 4.8 20.0 1.0
CE1 B:TYR338 5.0 24.2 1.0

Chlorine binding site 5 out of 8 in 8duy

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Chlorine binding site 5 out of 8 in the Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae


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 Cystathionine Beta-Lyase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl400

b:53.4
occ:1.00
 N C:GLU179 3.0 26.0 1.0
CB C:GLU179 3.3 38.9 1.0
C C:ALA177 3.4 29.4 1.0
N C:PRO178 3.5 29.6 1.0
CA C:ALA177 3.5 23.0 1.0
CD C:PRO178 3.5 33.5 1.0
CA C:GLU179 3.7 28.8 1.0
CB C:ALA177 3.8 30.5 1.0
CG C:GLU179 3.9 39.7 1.0
CG C:PRO178 4.0 35.9 1.0
O C:ALA177 4.0 25.1 1.0
C C:PRO178 4.1 26.2 1.0
C C:GLU179 4.2 26.1 1.0
N C:ALA180 4.3 23.5 1.0
CA C:PRO178 4.3 27.3 1.0
CB C:PRO178 4.8 33.0 1.0
N C:ALA177 4.8 26.5 1.0
O C:HOH773 4.9 42.5 1.0

Chlorine binding site 6 out of 8 in 8duy

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Chlorine binding site 6 out of 8 in the Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:27.2
occ:1.00
 O C:HOH643 2.7 32.6 1.0
N C:SER339 3.2 19.0 1.0
NH2 C:ARG372 3.2 19.7 1.0
O2 C:MPD402 3.3 50.2 1.0
CA C:SER339 3.8 16.4 1.0
NH1 C:ARG372 3.8 16.7 1.0
CZ C:ARG372 4.0 21.9 1.0
CD1 C:TYR338 4.0 22.9 1.0
CB C:TYR338 4.0 18.3 1.0
CD1 C:TRP340 4.0 18.9 1.0
C C:TYR338 4.1 19.9 1.0
CA C:TYR338 4.2 19.7 1.0
NE1 C:TRP340 4.2 16.4 1.0
O C:HOH812 4.4 19.1 1.0
C C:SER339 4.5 17.2 1.0
CG C:TYR338 4.5 18.3 1.0
O C:SER339 4.5 15.8 1.0
CE1 C:TYR111 4.5 20.1 1.0
OH C:TYR111 4.7 20.1 1.0
C2 C:MPD402 4.7 39.9 1.0
NZ C:LLP210 4.7 23.8 1.0
C4' C:LLP210 4.7 24.2 1.0
C5 C:MPD402 5.0 41.0 1.0

Chlorine binding site 7 out of 8 in 8duy

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Chlorine binding site 7 out of 8 in the Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl400

b:42.4
occ:1.00
 N D:GLU179 3.0 18.9 1.0
O D:HOH860 3.1 34.3 1.0
CB D:GLU179 3.2 28.4 1.0
C D:ALA177 3.4 19.5 1.0
N D:PRO178 3.5 20.1 1.0
CA D:ALA177 3.5 18.6 1.0
CD D:PRO178 3.6 19.6 1.0
CA D:GLU179 3.6 21.8 1.0
CG D:GLU179 3.7 38.2 1.0
CB D:ALA177 3.9 23.1 1.0
O D:ALA177 4.0 18.3 1.0
C D:PRO178 4.1 21.5 1.0
CG D:PRO178 4.1 23.2 1.0
C D:GLU179 4.1 19.6 1.0
N D:ALA180 4.2 19.3 1.0
CA D:PRO178 4.3 19.6 1.0
O D:HOH721 4.4 35.4 1.0
N D:ALA177 4.8 21.2 1.0
CB D:PRO178 4.9 23.0 1.0
O D:HOH719 4.9 23.9 1.0

Chlorine binding site 8 out of 8 in 8duy

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Chlorine binding site 8 out of 8 in the Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:21.6
occ:1.00
 O D:HOH756 2.3 28.8 1.0
O D:HOH685 2.8 30.2 1.0
N D:SER339 3.1 12.4 1.0
NH2 D:ARG372 3.2 11.0 1.0
O2 D:MPD402 3.4 39.9 1.0
O D:HOH833 3.5 33.4 1.0
CA D:SER339 3.7 13.7 1.0
NH1 D:ARG372 3.9 11.5 1.0
CD1 D:TRP340 4.0 11.3 1.0
CZ D:ARG372 4.0 14.6 1.0
CD1 D:TYR338 4.1 17.8 1.0
CB D:TYR338 4.1 14.4 1.0
C D:TYR338 4.1 15.6 1.0
NE1 D:TRP340 4.1 11.5 1.0
CA D:TYR338 4.2 14.9 1.0
C D:SER339 4.4 13.1 1.0
O D:HOH817 4.4 13.8 1.0
O D:SER339 4.5 12.3 1.0
CG D:TYR338 4.5 12.1 1.0
CE1 D:TYR111 4.6 15.0 1.0
OH D:TYR111 4.7 16.1 1.0
C2 D:MPD402 4.8 28.3 1.0
C4' D:LLP210 4.8 26.3 1.0
O D:HOH682 4.8 10.8 1.0
NZ D:LLP210 4.9 22.1 1.0

Reference:

D.M.Dranow, J.A.Abendroth, D.D.Lorimer, P.S.Horanyi, T.E.Edwards. Crystal Structure of Cystathionine Beta-Lyase From Klebsiella Pneumoniae To Be Published.
Page generated: Tue Apr 4 22:48:02 2023

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