Atomistry » Chlorine » PDB 4gf0-4gly » 4gkb
Atomistry »
  Chlorine »
    PDB 4gf0-4gly »
      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: Sun Jul 21 14:45:21 2024

Last articles

Ca in 5SBC
Ca in 5SBB
Ca in 5SBA
Ca in 5SB7
Ca in 5SB9
Ca in 5SB8
Ca in 5SB6
Ca in 5SB5
Ca in 5SB3
Ca in 5SB4
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy