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Chlorine in PDB 5jy1: Crystal Structure of Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad

Enzymatic activity of Crystal Structure of Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad

All present enzymatic activity of Crystal Structure of Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad:
1.1.1.100;

Protein crystallography data

The structure of Crystal Structure of Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad, PDB code: 5jy1 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) 48.83 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 68.410, 95.700, 84.140, 90.00, 98.52, 90.00
R / Rfree (%) 14.6 / 17.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad (pdb code 5jy1). 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 Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad, PDB code: 5jy1:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5jy1

Go back to Chlorine Binding Sites List in 5jy1
Chlorine binding site 1 out of 4 in the Crystal Structure of Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad


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 Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:26.7
occ:1.00
N A:GLY217 3.1 19.6 1.0
OG1 A:THR187 3.2 18.7 1.0
O A:HOH424 3.2 35.8 1.0
O A:HOH596 3.2 41.1 1.0
C A:THR187 3.6 18.5 1.0
CB A:THR187 3.7 19.9 1.0
N A:ALA188 3.7 18.3 1.0
NH1 A:ARG211 3.7 17.7 1.0
O A:THR187 3.7 18.8 1.0
CA A:SER216 3.8 23.6 1.0
CA A:ALA188 3.9 21.9 1.0
CZ A:ARG211 3.9 21.3 1.0
C A:SER216 3.9 24.0 1.0
O A:HOH488 3.9 30.0 1.0
CB A:SER216 4.0 30.2 1.0
CA A:GLY217 4.0 21.5 1.0
NH2 A:ARG211 4.1 22.8 1.0
CZ B:PHE237 4.2 16.9 1.0
CA A:THR187 4.3 15.4 1.0
C A:ALA188 4.3 30.7 1.0
CE2 B:PHE237 4.5 15.8 1.0
OG A:SER216 4.6 33.1 1.0
NE A:ARG211 4.6 22.4 1.0
O A:ALA188 4.7 28.2 1.0
O A:GLY217 4.7 25.1 1.0
N A:MET189 4.9 29.4 1.0
C A:GLY217 4.9 23.2 1.0
OG A:SER207 5.0 31.0 1.0
CG2 A:THR187 5.0 17.5 1.0
O A:ARG215 5.0 22.3 1.0

Chlorine binding site 2 out of 4 in 5jy1

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Chlorine binding site 2 out of 4 in the Crystal Structure of Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad


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 Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:22.9
occ:1.00
N B:GLY217 3.1 16.7 1.0
OG1 B:THR187 3.2 17.3 1.0
O B:HOH599 3.2 40.5 1.0
O B:HOH410 3.2 38.7 1.0
C B:THR187 3.6 16.1 1.0
NH1 B:ARG211 3.6 18.9 1.0
CB B:THR187 3.6 17.0 1.0
N B:ALA188 3.6 17.1 1.0
O B:THR187 3.7 17.0 1.0
CA B:SER216 3.7 19.8 1.0
O B:HOH530 3.8 29.9 1.0
CA B:ALA188 3.8 16.4 1.0
CZ B:ARG211 3.9 16.1 1.0
C B:SER216 3.9 19.1 1.0
CB B:SER216 4.0 23.9 1.0
NH2 B:ARG211 4.0 19.8 1.0
CA B:GLY217 4.0 16.3 1.0
CZ A:PHE237 4.2 14.3 1.0
C B:ALA188 4.3 30.1 1.0
CA B:THR187 4.3 13.3 1.0
CE2 A:PHE237 4.5 13.3 1.0
OG B:SER216 4.5 24.9 1.0
O B:ALA188 4.6 27.4 1.0
NE B:ARG211 4.7 16.6 1.0
O B:GLY217 4.8 21.2 1.0
N B:MET189 4.8 28.4 1.0
C B:GLY217 4.9 20.5 1.0
OG B:SER207 5.0 24.4 1.0
CG2 B:THR187 5.0 17.4 1.0
O B:ARG215 5.0 18.5 1.0

Chlorine binding site 3 out of 4 in 5jy1

Go back to Chlorine Binding Sites List in 5jy1
Chlorine binding site 3 out of 4 in the Crystal Structure of Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad


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 Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl304

b:23.9
occ:1.00
N C:GLY217 3.1 19.9 1.0
OG1 C:THR187 3.1 16.8 1.0
O C:HOH405 3.2 32.8 1.0
O C:HOH581 3.4 36.1 1.0
C C:THR187 3.6 13.7 1.0
N C:ALA188 3.6 14.5 1.0
NH1 C:ARG211 3.6 18.1 1.0
CB C:THR187 3.6 17.8 1.0
O C:THR187 3.7 16.4 1.0
CA C:SER216 3.7 25.9 1.0
CA C:ALA188 3.7 18.1 1.0
C C:SER216 3.9 21.0 1.0
CZ C:ARG211 4.0 18.3 1.0
O C:HOH551 4.0 31.4 1.0
CB C:SER216 4.0 27.0 1.0
CA C:GLY217 4.0 16.2 1.0
NH2 C:ARG211 4.1 21.4 1.0
C C:ALA188 4.2 23.1 1.0
CA C:THR187 4.2 14.6 1.0
CZ D:PHE237 4.2 12.7 1.0
CE2 D:PHE237 4.5 14.0 1.0
OG C:SER216 4.5 31.3 1.0
O C:ALA188 4.5 22.9 1.0
NE C:ARG211 4.7 18.7 1.0
O C:GLY217 4.7 21.8 1.0
N C:MET189 4.7 24.1 1.0
C C:GLY217 4.9 17.8 1.0
CG2 C:THR187 5.0 18.3 1.0

Chlorine binding site 4 out of 4 in 5jy1

Go back to Chlorine Binding Sites List in 5jy1
Chlorine binding site 4 out of 4 in the Crystal Structure of Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad


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 Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:24.6
occ:1.00
O D:HOH418 3.1 30.1 1.0
N D:GLY217 3.1 20.5 1.0
OG1 D:THR187 3.2 17.7 1.0
O D:HOH606 3.2 34.0 1.0
C D:THR187 3.6 19.5 1.0
CB D:THR187 3.6 17.9 1.0
NH1 D:ARG211 3.7 17.6 1.0
O D:THR187 3.7 18.0 1.0
N D:ALA188 3.7 17.6 1.0
CA D:SER216 3.8 21.8 1.0
CA D:ALA188 3.9 15.9 1.0
CZ D:ARG211 3.9 21.6 1.0
C D:SER216 4.0 22.0 1.0
CA D:GLY217 4.0 20.0 1.0
O D:HOH518 4.0 25.9 1.0
NH2 D:ARG211 4.1 20.7 1.0
CB D:SER216 4.1 25.7 1.0
CZ C:PHE237 4.2 14.8 1.0
CA D:THR187 4.3 17.6 1.0
C D:ALA188 4.3 21.8 1.0
CE2 C:PHE237 4.4 15.3 1.0
NE D:ARG211 4.6 18.6 1.0
OG D:SER216 4.6 28.5 1.0
O D:ALA188 4.6 22.4 1.0
O D:GLY217 4.8 20.8 1.0
C D:GLY217 5.0 19.2 1.0
N D:MET189 5.0 24.6 1.0
O D:ARG215 5.0 21.1 1.0
CG2 D:THR187 5.0 16.0 1.0
CE2 D:PHE193 5.0 32.5 1.0
OG D:SER207 5.0 26.6 1.0

Reference:

Seattle Structural Genomics Center For Infectious Disease(Ssgcid), S.L.Delker, J.Abendroth, D.Lorimer, T.E.Edwards. Crystal Structure of Putative Short-Chain Dehydrogenase/Reductase From Burkholderia Xenovorans LB400 Bound to Nad To Be Published.
Page generated: Sat Dec 12 11:55:01 2020

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