Chlorine in PDB 8sad: Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes, Plp/Malonate Complex (C2 Form)

Enzymatic activity of Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes, Plp/Malonate Complex (C2 Form)

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

Protein crystallography data

The structure of Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes, Plp/Malonate Complex (C2 Form), PDB code: 8sad 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) 42.03 / 1.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 87.589, 130.211, 82.534, 90, 104.31, 90
R / Rfree (%) 14.6 / 16.1

Other elements in 8sad:

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

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes, Plp/Malonate Complex (C2 Form) (pdb code 8sad). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes, Plp/Malonate Complex (C2 Form), PDB code: 8sad:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8sad

Go back to Chlorine Binding Sites List in 8sad
Chlorine binding site 1 out of 4 in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes, Plp/Malonate Complex (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, Plp/Malonate Complex (C2 Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:23.5
occ:1.00
 O A:HOH648 3.1 28.4 1.0
N A:SER339 3.1 14.3 1.0
NH2 A:ARG372 3.1 17.1 1.0
CA A:SER339 3.8 14.2 1.0
NH1 A:ARG372 3.8 17.7 1.0
C1 A:MPD409 3.9 52.2 1.0
CD1 A:TYR338 3.9 16.5 1.0
CB A:TYR338 3.9 15.1 1.0
CZ A:ARG372 3.9 16.9 1.0
CA A:TYR338 4.0 14.7 1.0
C A:TYR338 4.1 16.1 1.0
CD1 A:TRP340 4.2 16.1 1.0
NE1 A:TRP340 4.4 17.6 1.0
CG A:TYR338 4.4 14.8 1.0
O A:SER339 4.5 15.2 1.0
C A:SER339 4.5 14.2 1.0
O A:HOH530 4.5 28.6 1.0
CE1 A:TYR111 4.8 16.2 1.0
O A:HOH632 4.9 16.3 1.0
OH A:TYR111 4.9 20.1 1.0
CE1 A:TYR338 4.9 19.2 1.0

Chlorine binding site 2 out of 4 in 8sad

Go back to Chlorine Binding Sites List in 8sad
Chlorine binding site 2 out of 4 in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes, Plp/Malonate Complex (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, Plp/Malonate Complex (C2 Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:27.1
occ:1.00
 N A:GLU179 3.1 17.5 1.0
O A:HOH728 3.2 37.8 1.0
C A:ALA177 3.5 19.1 1.0
CA A:ALA177 3.6 19.3 1.0
N A:PRO178 3.6 19.2 1.0
CB A:GLU179 3.6 19.8 1.0
CA A:GLU179 3.7 18.9 1.0
CD A:PRO178 3.7 21.5 1.0
CB A:ALA177 3.9 21.3 1.0
N A:ALA180 3.9 17.6 1.0
O A:ALA177 3.9 19.3 1.0
C A:GLU179 4.0 16.6 1.0
C A:PRO178 4.2 17.6 1.0
OE1 A:GLU179 4.4 33.0 1.0
CA A:PRO178 4.4 20.2 1.0
CG A:GLU179 4.4 23.3 1.0
CG A:PRO178 4.8 33.6 1.0
O A:GLU179 4.8 18.8 1.0
CA A:ALA180 4.9 16.8 1.0
CD A:GLU179 4.9 31.9 1.0
CB A:PRO178 4.9 24.7 1.0
N A:ALA177 4.9 18.8 1.0

Chlorine binding site 3 out of 4 in 8sad

Go back to Chlorine Binding Sites List in 8sad
Chlorine binding site 3 out of 4 in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes, Plp/Malonate Complex (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, Plp/Malonate Complex (C2 Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:30.9
occ:1.00
 O B:HOH587 2.9 35.7 1.0
NH2 B:ARG372 3.0 26.2 1.0
N B:SER339 3.1 21.0 1.0
O B:HOH749 3.3 42.8 1.0
NH1 B:ARG372 3.7 24.9 1.0
CA B:SER339 3.8 21.0 1.0
CZ B:ARG372 3.8 25.3 1.0
CD1 B:TYR338 3.9 20.8 1.0
CB B:TYR338 4.0 21.8 1.0
CA B:TYR338 4.1 19.0 1.0
C B:TYR338 4.1 18.6 1.0
CD1 B:TRP340 4.1 21.3 1.0
CM B:MPD409 4.2 55.6 1.0
O B:HOH727 4.3 36.1 1.0
NE1 B:TRP340 4.3 25.0 1.0
CG B:TYR338 4.4 20.9 1.0
C B:SER339 4.5 19.5 1.0
O B:SER339 4.5 20.9 1.0
CE1 B:TYR111 4.6 27.4 1.0
OH B:TYR111 4.7 28.5 1.0
CE1 B:TYR338 4.9 25.2 1.0
O B:HOH545 4.9 21.1 1.0

Chlorine binding site 4 out of 4 in 8sad

Go back to Chlorine Binding Sites List in 8sad
Chlorine binding site 4 out of 4 in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes, Plp/Malonate Complex (C2 Form)


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 Aerogenes, Plp/Malonate Complex (C2 Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl406

b:28.1
occ:1.00
 NZ B:LYS42 2.9 32.9 1.0
CD B:LYS42 3.8 22.3 1.0
CE B:LYS42 3.9 25.2 1.0
O B:HOH682 4.5 31.4 1.0

Reference:

L.Liu, S.Lovell, K.P.Battaile, A.Cooper. Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes, Plp/Malonate Complex (C2 Form) To Be Published.
Page generated: Tue Apr 25 19:28:28 2023

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