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Chlorine in PDB 4glo: Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound Nad

Enzymatic activity of Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound Nad

All present enzymatic activity of Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound Nad:
1.1.1.100;

Protein crystallography data

The structure of Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound Nad, PDB code: 4glo was solved by M.W.Vetting, M.E.Hobbs, L.L.Morisco, S.R.Wasserman, S.Sojitra, H.J.Imker, F.M.Raushel, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.75 / 1.80
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 99.590, 99.590, 206.389, 90.00, 90.00, 120.00
R / Rfree (%) 15 / 18.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound Nad (pdb code 4glo). 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 Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound Nad, PDB code: 4glo:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4glo

Go back to Chlorine Binding Sites List in 4glo
Chlorine binding site 1 out of 4 in the Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound 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 A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:31.8
occ:1.00
 O A:HOH610 3.0 33.4 1.0
N A:ASP222 3.0 12.1 1.0
CG A:ASP222 3.2 18.7 1.0
O A:HOH532 3.3 37.5 1.0
OD2 A:ASP222 3.3 16.4 1.0
CB A:ASP222 3.4 11.0 1.0
CD A:PRO221 3.4 12.1 1.0
OD1 A:ASP222 3.5 18.5 1.0
CB A:THR220 3.5 12.6 1.0
N A:PRO221 3.6 10.6 1.0
OG1 A:THR220 3.8 12.8 1.0
CA A:ASP222 3.8 12.9 1.0
CB A:PRO221 3.9 9.0 1.0
C A:PRO221 4.0 9.5 1.0
CG A:PRO221 4.1 14.1 1.0
CA A:PRO221 4.1 8.6 1.0
C A:THR220 4.2 8.7 1.0
O A:HOH459 4.3 22.9 1.0
CA A:THR220 4.4 9.8 1.0
O A:HOH619 4.6 28.2 1.0
CG2 A:THR220 4.6 10.7 1.0
O A:HOH620 4.6 44.8 1.0
O A:HOH522 4.9 28.8 1.0
O A:HOH529 4.9 36.3 1.0
O A:THR220 5.0 10.7 1.0

Chlorine binding site 2 out of 4 in 4glo

Go back to Chlorine Binding Sites List in 4glo
Chlorine binding site 2 out of 4 in the Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound 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 A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:35.5
occ:1.00
 N B:ASP222 3.0 9.2 1.0
O B:HOH510 3.0 39.6 1.0
CG B:ASP222 3.2 20.6 1.0
OD2 B:ASP222 3.3 23.9 1.0
CD B:PRO221 3.3 12.5 1.0
CB B:ASP222 3.4 13.7 1.0
N B:PRO221 3.5 10.3 1.0
OD1 B:ASP222 3.6 20.0 1.0
CB B:THR220 3.7 9.9 1.0
CA B:ASP222 3.8 11.0 1.0
CB B:PRO221 3.9 11.3 1.0
C B:PRO221 3.9 10.5 1.0
OG1 B:THR220 3.9 8.7 1.0
CA B:PRO221 4.0 9.0 1.0
CG B:PRO221 4.0 12.1 1.0
C B:THR220 4.2 9.4 1.0
CA B:THR220 4.4 8.4 1.0
CG2 B:THR220 4.7 11.0 1.0
O B:HOH454 4.8 17.9 1.0
O B:HOH589 4.8 31.1 1.0
O B:HOH533 4.8 28.9 1.0
O B:HOH594 4.9 39.5 1.0

Chlorine binding site 3 out of 4 in 4glo

Go back to Chlorine Binding Sites List in 4glo
Chlorine binding site 3 out of 4 in the Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound 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 A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl304

b:36.5
occ:1.00
 O C:HOH528 2.9 32.2 1.0
N C:ASP222 3.0 11.1 1.0
O C:HOH549 3.1 42.5 1.0
CG C:ASP222 3.2 25.9 1.0
CD C:PRO221 3.3 13.5 1.0
OD2 C:ASP222 3.3 25.2 1.0
CB C:ASP222 3.4 11.6 1.0
N C:PRO221 3.5 11.5 1.0
OD1 C:ASP222 3.5 21.1 1.0
CB C:THR220 3.6 13.6 1.0
OG1 C:THR220 3.8 13.5 1.0
CA C:ASP222 3.8 16.2 1.0
CB C:PRO221 3.8 11.8 1.0
CG C:PRO221 3.9 14.1 1.0
C C:PRO221 4.0 11.5 1.0
CA C:PRO221 4.0 11.0 1.0
C C:THR220 4.2 10.8 1.0
CA C:THR220 4.4 9.5 1.0
O C:HOH511 4.5 33.0 1.0
CG2 C:THR220 4.6 17.5 1.0
O C:HOH546 4.9 47.5 1.0
O C:THR220 5.0 10.7 1.0

Chlorine binding site 4 out of 4 in 4glo

Go back to Chlorine Binding Sites List in 4glo
Chlorine binding site 4 out of 4 in the Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound 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 A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl304

b:34.0
occ:1.00
 O D:HOH502 2.9 28.2 1.0
N D:ASP222 3.0 10.5 1.0
CG D:ASP222 3.1 22.5 1.0
OD2 D:ASP222 3.2 21.3 1.0
CB D:ASP222 3.4 11.8 1.0
CD D:PRO221 3.4 14.2 1.0
OD1 D:ASP222 3.4 21.8 1.0
N D:PRO221 3.6 10.5 1.0
CB D:THR220 3.7 15.5 1.0
CA D:ASP222 3.8 10.8 1.0
CB D:PRO221 3.8 11.3 1.0
OG1 D:THR220 3.9 14.4 1.0
CG D:PRO221 4.0 17.4 1.0
C D:PRO221 4.0 11.4 1.0
CA D:PRO221 4.1 12.6 1.0
C D:THR220 4.2 9.8 1.0
CA D:THR220 4.5 13.1 1.0
O D:HOH600 4.6 31.0 1.0
CG2 D:THR220 4.8 17.4 1.0
O D:HOH578 5.0 39.2 1.0

Reference:

M.W.Vetting, M.E.Hobbs, L.L.Morisco, S.R.Wasserman, S.Sojitra, H.J.Imker, F.M.Raushel, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi-505321) From Burkholderia Multivorans, with Bound Nad To Be Published.
Page generated: Fri Jul 11 15:45:05 2025

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