Atomistry » Chlorine » PDB 4gen-4glo » 4gkb
Atomistry »
  Chlorine »
    PDB 4gen-4glo »
      4gkb »

Chlorine in PDB 4gkb: Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, Unliganded Structure

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

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

Protein crystallography data

The structure of Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, Unliganded Structure, PDB code: 4gkb 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) 22.87 / 1.50
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 99.960, 99.960, 205.801, 90.00, 90.00, 120.00
R / Rfree (%) 15.1 / 17.2

Other elements in 4gkb:

The structure of Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, Unliganded Structure also contains other interesting chemical elements:

Calcium (Ca) 3 atoms

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, Unliganded Structure (pdb code 4gkb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, Unliganded Structure, PDB code: 4gkb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4gkb

Go back to Chlorine Binding Sites List in 4gkb
Chlorine binding site 1 out of 6 in the Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, Unliganded Structure


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, Unliganded Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:38.4
occ:1.00
 O A:HOH441 3.3 23.5 1.0
N A:ARG39 3.5 23.4 1.0
O A:HOH613 3.8 40.1 1.0
CA A:ALA38 3.8 19.4 1.0
CA A:GLY14 4.0 13.9 1.0
CB A:ALA38 4.1 24.0 1.0
CB A:ALA91 4.1 14.3 1.0
CB A:ARG39 4.2 25.7 1.0
C A:ALA38 4.2 20.1 1.0
CD1 A:LEU64 4.2 18.2 1.0
N A:GLY14 4.3 13.0 1.0
CA A:ARG39 4.4 26.4 1.0
NH2 A:ARG39 4.7 51.8 1.0
O A:PHE37 4.7 17.5 1.0
CZ A:ARG39 4.9 50.8 1.0
O A:HOH461 5.0 24.2 1.0

Chlorine binding site 2 out of 6 in 4gkb

Go back to Chlorine Binding Sites List in 4gkb
Chlorine binding site 2 out of 6 in the Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, Unliganded Structure


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, Unliganded Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:23.2
occ:1.00
 O D:HOH604 2.5 38.2 1.0
O A:HOH421 3.0 13.7 1.0
O A:HOH590 3.1 34.0 1.0
N A:LEU99 3.2 12.4 1.0
N A:ASN149 3.5 18.2 1.0
CA A:ASN149 3.5 16.4 1.0
OD1 A:ASN149 3.7 47.5 1.0
CA A:GLY98 3.7 14.1 1.0
CB A:LEU99 3.8 16.6 1.0
CB D:ALA170 3.8 12.5 1.0
O D:HOH624 3.9 40.2 1.0
C A:GLY98 4.0 12.9 1.0
CA A:LEU99 4.1 13.0 1.0
CG A:LEU99 4.1 16.9 1.0
CD1 A:LEU99 4.1 15.5 1.0
CB A:ASN149 4.2 22.9 1.0
CG A:ASN149 4.3 35.4 1.0
C A:ASN149 4.6 13.7 1.0
O D:HOH637 4.6 37.7 1.0
OE2 D:GLU166 4.7 11.3 1.0
C A:GLY148 4.7 15.9 1.0
O D:HOH635 4.7 44.6 1.0
N A:THR150 4.9 11.1 1.0

Chlorine binding site 3 out of 6 in 4gkb

Go back to Chlorine Binding Sites List in 4gkb
Chlorine binding site 3 out of 6 in the Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, Unliganded Structure


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, Unliganded Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:37.5
occ:1.00
 O C:HOH454 3.1 16.3 1.0
N C:ARG39 3.4 14.7 1.0
CA C:ALA38 3.8 12.3 1.0
O C:HOH651 4.0 27.6 1.0
NH1 C:ARG39 4.0 47.6 1.0
CB C:ARG39 4.1 18.5 1.0
C C:ALA38 4.1 12.6 1.0
CB C:ALA38 4.2 18.6 1.0
CD1 C:LEU64 4.2 13.9 1.0
CB C:ALA91 4.3 8.9 1.0
CA C:GLY14 4.4 10.3 1.0
CA C:ARG39 4.4 16.9 1.0
N C:GLY14 4.6 8.7 1.0
CZ C:ARG39 4.7 43.5 1.0
O C:PHE37 4.8 12.5 1.0
NH2 C:ARG39 5.0 46.9 1.0
O C:VAL62 5.0 11.9 1.0
CG C:LEU64 5.0 9.8 1.0

Chlorine binding site 4 out of 6 in 4gkb

Go back to Chlorine Binding Sites List in 4gkb
Chlorine binding site 4 out of 6 in the Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, Unliganded Structure


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, Unliganded Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:38.1
occ:1.00
 N C:ASP67 2.9 9.7 1.0
O C:GLN65 3.3 12.5 1.0
CB C:ASP67 3.5 10.4 1.0
CA C:ASP66 3.7 9.9 1.0
C C:ASP66 3.8 11.7 1.0
CA C:ASP67 3.8 9.5 1.0
CD B:ARG103 3.9 14.8 1.0
NE B:ARG103 3.9 16.1 1.0
CZ B:ARG103 4.0 16.7 1.0
NH2 B:ARG103 4.1 12.9 1.0
C C:GLN65 4.2 7.6 1.0
O C:HOH446 4.3 15.9 1.0
O C:HOH516 4.3 31.2 1.0
OD1 C:ASP66 4.4 14.9 1.0
N C:ASP66 4.5 8.5 1.0
O C:HOH542 4.5 37.9 1.0
O C:HOH564 4.5 32.6 1.0
O C:HOH423 4.5 11.6 1.0
NH1 B:ARG103 4.7 20.1 1.0
CB C:ASP66 4.9 11.1 1.0
N C:ALA68 4.9 10.0 1.0
CG C:ASP67 4.9 9.8 1.0
CG C:ASP66 4.9 17.0 1.0
C C:ASP67 4.9 9.9 1.0
O C:ASP66 5.0 10.9 1.0

Chlorine binding site 5 out of 6 in 4gkb

Go back to Chlorine Binding Sites List in 4gkb
Chlorine binding site 5 out of 6 in the Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, Unliganded Structure


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 A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, Unliganded Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:21.1
occ:1.00
 O A:HOH586 2.4 42.5 1.0
O D:HOH540 3.0 35.3 1.0
O D:HOH420 3.0 13.0 1.0
N D:LEU99 3.2 11.8 1.0
N D:ASN149 3.4 20.8 1.0
CA D:ASN149 3.5 14.8 1.0
O A:HOH605 3.5 36.9 1.0
CB A:ALA170 3.7 10.1 1.0
CA D:GLY98 3.8 11.6 1.0
CB D:LEU99 3.9 12.7 1.0
C D:GLY98 4.0 12.1 1.0
CG D:LEU99 4.1 13.9 1.0
CD1 D:LEU99 4.2 14.4 1.0
CA D:LEU99 4.2 12.7 1.0
OD1 D:ASN149 4.3 32.0 1.0
CB D:ASN149 4.4 16.3 1.0
C D:ASN149 4.6 13.1 1.0
C D:GLY148 4.6 13.0 1.0
OE2 A:GLU166 4.7 10.5 1.0
CG D:ASN149 4.8 28.5 1.0
N D:THR150 4.9 9.5 1.0
O A:HOH551 4.9 48.5 1.0
CA A:ALA170 5.0 8.2 1.0

Chlorine binding site 6 out of 6 in 4gkb

Go back to Chlorine Binding Sites List in 4gkb
Chlorine binding site 6 out of 6 in the Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, Unliganded Structure


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 A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, Unliganded Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:34.0
occ:1.00
 O D:HOH452 3.1 19.0 1.0
N D:ARG39 3.4 13.9 1.0
CA D:ALA38 3.8 14.6 1.0
NH1 D:ARG39 3.8 45.2 1.0
O D:HOH643 3.8 34.4 1.0
CB D:ARG39 4.0 20.6 1.0
CB D:ALA38 4.0 16.0 1.0
C D:ALA38 4.1 14.7 1.0
CD1 D:LEU64 4.2 14.8 1.0
CB D:ALA91 4.2 10.9 1.0
CA D:GLY14 4.3 11.8 1.0
CA D:ARG39 4.4 16.0 1.0
N D:GLY14 4.5 11.6 1.0
CZ D:ARG39 4.5 42.7 1.0
O D:PHE37 4.8 12.8 1.0
NH2 D:ARG39 4.9 44.1 1.0
O D:HOH645 4.9 44.0 1.0
O D:VAL62 4.9 14.0 1.0
CG D:LEU64 5.0 13.7 1.0
N D:ALA38 5.0 13.7 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, Unliganded Structure To Be Published.
Page generated: Sat Dec 12 10:39:56 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy