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Chlorine in PDB 4gvx: Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound Nadp and L-Fucose

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

All present enzymatic activity of Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound Nadp and L-Fucose:
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 Nadp and L-Fucose, PDB code: 4gvx 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) 28.74 / 1.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 68.437, 118.522, 118.283, 90.00, 92.92, 90.00
R / Rfree (%) 15.2 / 17.9

Other elements in 4gvx:

The structure of Crystal Structure of A Short Chain Dehydrogenase Homolog (Target Efi- 505321) From Burkholderia Multivorans, with Bound Nadp and L-Fucose also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

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 Nadp and L-Fucose (pdb code 4gvx). 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 Nadp and L-Fucose, PDB code: 4gvx:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4gvx

Go back to Chlorine Binding Sites List in 4gvx
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 Nadp and L-Fucose


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 Nadp and L-Fucose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:6.8
occ:1.00
 O C:HOH627 2.9 28.7 1.0
O C:HOH430 3.0 8.8 1.0
O A:HOH519 3.1 20.2 1.0
N A:LEU99 3.2 5.0 1.0
N A:ASN149 3.4 5.1 1.0
CA A:ASN149 3.5 5.9 1.0
CB C:ALA170 3.7 4.8 1.0
CB A:LEU99 3.8 10.0 1.0
CA A:GLY98 3.8 4.9 1.0
CG A:LEU99 4.0 6.7 1.0
CD1 A:LEU99 4.0 6.1 1.0
C A:GLY98 4.1 6.3 1.0
CA A:LEU99 4.1 7.0 1.0
OD1 A:ASN149 4.4 19.2 1.0
CB A:ASN149 4.4 8.5 1.0
C A:ASN149 4.5 7.2 1.0
OE2 C:GLU166 4.6 4.8 1.0
O C:HOH584 4.6 33.0 1.0
C A:GLY148 4.6 6.6 1.0
O C:HOH491 4.8 26.3 1.0
N A:THR150 4.8 3.9 1.0
CA C:ALA170 4.9 5.3 1.0
CG A:ASN149 4.9 22.4 1.0

Chlorine binding site 2 out of 4 in 4gvx

Go back to Chlorine Binding Sites List in 4gvx
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 Nadp and L-Fucose


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 Nadp and L-Fucose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:8.9
occ:1.00
 O B:HOH475 3.1 17.7 1.0
O B:HOH647 3.1 23.4 1.0
N B:LEU99 3.2 7.0 1.0
N B:ASN149 3.4 7.6 1.0
CA B:ASN149 3.5 6.5 1.0
CB B:LEU99 3.8 10.0 1.0
CA B:GLY98 3.8 8.1 1.0
C B:GLY98 4.0 6.9 1.0
CG B:LEU99 4.1 10.0 1.0
CA B:LEU99 4.1 8.4 1.0
CD1 B:LEU99 4.2 9.7 1.0
OD1 B:ASN149 4.3 23.2 1.0
CB B:ASN149 4.4 10.7 1.0
C B:ASN149 4.6 9.8 1.0
C B:GLY148 4.6 7.5 1.0
N B:THR150 4.8 5.8 1.0
CG B:ASN149 4.8 24.3 1.0

Chlorine binding site 3 out of 4 in 4gvx

Go back to Chlorine Binding Sites List in 4gvx
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 Nadp and L-Fucose


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 Nadp and L-Fucose within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:7.0
occ:1.00
 O C:HOH422 3.0 6.3 1.0
O C:HOH464 3.1 17.3 1.0
N C:LEU99 3.3 5.9 1.0
N C:ASN149 3.4 5.6 1.0
CA C:ASN149 3.5 6.0 1.0
CB A:ALA170 3.7 7.5 1.0
CA C:GLY98 3.9 4.0 1.0
CB C:LEU99 3.9 6.7 1.0
C1 A:EDO305 3.9 32.9 1.0
C C:GLY98 4.1 5.8 1.0
CG C:LEU99 4.1 6.2 1.0
CD1 C:LEU99 4.1 8.3 1.0
CA C:LEU99 4.2 5.8 1.0
OD1 C:ASN149 4.3 23.2 1.0
C2 A:EDO305 4.3 30.4 1.0
CB C:ASN149 4.4 6.6 1.0
C C:ASN149 4.5 7.4 1.0
C C:GLY148 4.6 5.2 1.0
OE2 A:GLU166 4.6 7.0 1.0
N C:THR150 4.8 4.9 1.0
CG C:ASN149 4.8 21.3 1.0
CA A:ALA170 4.9 4.7 1.0

Chlorine binding site 4 out of 4 in 4gvx

Go back to Chlorine Binding Sites List in 4gvx
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 Nadp and L-Fucose


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 Nadp and L-Fucose within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:9.4
occ:1.00
 O D:HOH422 3.0 9.5 1.0
O D:HOH454 3.2 17.6 1.0
N D:LEU99 3.2 7.4 1.0
N D:ASN149 3.4 8.6 1.0
CA D:ASN149 3.5 9.6 1.0
CB D:LEU99 3.7 9.7 1.0
CA D:GLY98 3.8 8.0 1.0
C D:GLY98 4.0 8.9 1.0
CG D:LEU99 4.1 9.0 1.0
CA D:LEU99 4.1 8.6 1.0
CD1 D:LEU99 4.1 8.8 1.0
OD1 D:ASN149 4.4 22.7 1.0
CB D:ASN149 4.5 7.2 1.0
C D:ASN149 4.6 8.4 1.0
C D:GLY148 4.6 8.5 1.0
N D:THR150 4.8 6.3 1.0
CG D:ASN149 5.0 22.1 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 Nadp and L-Fucose To Be Published.
Page generated: Fri Jul 11 15:56:22 2025

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