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Chlorine in PDB 5jsc: Crystal Structure of A Putative Acyl-Coa Dehydrogenase From Burkholderia Xenovorans

Protein crystallography data

The structure of Crystal Structure of A Putative Acyl-Coa Dehydrogenase From Burkholderia Xenovorans, PDB code: 5jsc 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) 45.00 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 78.300, 73.750, 149.490, 90.00, 99.66, 90.00
R / Rfree (%) 13 / 16

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Putative Acyl-Coa Dehydrogenase From Burkholderia Xenovorans (pdb code 5jsc). 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 A Putative Acyl-Coa Dehydrogenase From Burkholderia Xenovorans, PDB code: 5jsc:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5jsc

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Chlorine binding site 1 out of 4 in the Crystal Structure of A Putative Acyl-Coa Dehydrogenase From Burkholderia Xenovorans


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 Acyl-Coa Dehydrogenase From Burkholderia Xenovorans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:56.8
occ:1.00
N A:ARG21 3.3 21.4 1.0
CB A:ARG21 3.5 22.4 1.0
NH1 A:ARG21 3.6 28.6 1.0
CG A:ARG21 3.6 22.6 1.0
CA A:ARG21 4.0 20.9 1.0
CD A:ARG21 4.0 25.0 1.0
CB A:GLU19 4.0 27.3 1.0
CD A:PRO20 4.1 24.3 1.0
N A:PRO20 4.1 22.3 1.0
CB A:PRO20 4.2 23.7 1.0
O A:HOH985 4.2 46.3 1.0
C A:PRO20 4.3 22.0 1.0
CA A:PRO20 4.4 23.1 1.0
O A:HOH824 4.4 44.5 1.0
CG A:PRO20 4.5 24.8 1.0
CZ A:ARG21 4.6 28.6 1.0
C A:GLU19 4.7 20.5 1.0
NE A:ARG21 4.8 27.0 1.0
CA A:GLU19 5.0 21.9 1.0

Chlorine binding site 2 out of 4 in 5jsc

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Chlorine binding site 2 out of 4 in the Crystal Structure of A Putative Acyl-Coa Dehydrogenase From Burkholderia Xenovorans


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 Acyl-Coa Dehydrogenase From Burkholderia Xenovorans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:59.0
occ:1.00
O B:HOH924 3.1 47.4 1.0
N B:ARG21 3.2 18.5 1.0
CB B:ARG21 3.5 19.2 1.0
CG B:ARG21 3.7 20.1 1.0
NH1 B:ARG21 3.7 22.9 1.0
CD B:PRO20 3.8 21.9 1.0
N B:PRO20 3.8 19.7 1.0
CB B:GLU19 3.9 21.4 1.0
CA B:ARG21 3.9 18.1 1.0
CB B:PRO20 3.9 21.4 1.0
C B:PRO20 4.1 18.5 1.0
CD B:ARG21 4.1 20.5 1.0
CA B:PRO20 4.2 19.4 1.0
CG B:PRO20 4.2 22.8 1.0
C B:GLU19 4.4 17.2 1.0
CZ B:ARG21 4.7 23.4 1.0
CA B:GLU19 4.8 18.1 1.0
CG B:GLU19 4.9 28.8 1.0
NE B:ARG21 4.9 22.6 1.0
OE1 B:GLU19 5.0 40.6 1.0

Chlorine binding site 3 out of 4 in 5jsc

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Chlorine binding site 3 out of 4 in the Crystal Structure of A Putative Acyl-Coa Dehydrogenase From Burkholderia Xenovorans


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 Acyl-Coa Dehydrogenase From Burkholderia Xenovorans within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:56.0
occ:1.00
N C:ARG21 3.6 19.3 1.0
CB C:ARG21 3.7 21.8 1.0
CG C:ARG21 3.7 23.1 1.0
NH1 C:ARG21 3.8 30.8 1.0
CD C:PRO20 4.1 22.7 1.0
CB C:GLU19 4.1 22.2 1.0
CD C:ARG21 4.1 27.4 1.0
CA C:ARG21 4.2 19.9 1.0
N C:PRO20 4.2 20.9 1.0
CB C:PRO20 4.4 23.1 1.0
C C:PRO20 4.5 20.9 1.0
CG C:PRO20 4.6 23.9 1.0
OE1 C:GLU19 4.6 36.6 1.0
CA C:PRO20 4.6 21.4 1.0
C C:GLU19 4.8 18.6 1.0
CZ C:ARG21 4.8 31.6 1.0
CG C:GLU19 4.9 28.4 1.0
NE C:ARG21 4.9 30.2 1.0

Chlorine binding site 4 out of 4 in 5jsc

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Chlorine binding site 4 out of 4 in the Crystal Structure of A Putative Acyl-Coa Dehydrogenase From Burkholderia Xenovorans


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 Acyl-Coa Dehydrogenase From Burkholderia Xenovorans within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl502

b:49.7
occ:1.00
N D:ARG21 3.6 23.4 1.0
CB D:ARG21 3.8 25.5 1.0
CG D:ARG21 3.9 28.9 1.0
CD D:PRO20 3.9 24.5 1.0
NH1 D:ARG21 4.0 36.8 1.0
N D:PRO20 4.2 22.9 1.0
CB D:PRO20 4.2 24.8 1.0
CB D:GLU19 4.2 27.5 1.0
CD D:ARG21 4.3 32.8 1.0
CA D:ARG21 4.3 23.1 1.0
CG D:PRO20 4.4 24.8 1.0
C D:PRO20 4.5 23.3 1.0
CA D:PRO20 4.6 23.9 1.0
C D:GLU19 4.8 20.8 1.0
OE2 D:GLU19 4.9 43.5 1.0

Reference:

J.Abendroth, S.L.Delker, D.D.Lorimer, T.E.Edewards. Crystal Structure of A Putative Acyl-Coa Dehydrogenase From Burkholderia Xenovorans To Be Published.
Page generated: Sat Dec 12 11:54:09 2020

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