Chlorine in PDB 6fkv: Structure and Function of Aldehyde Dehydrogenase From Thermus Thermophilus: An Enzyme with An Evolutionarily-Distinct C-Terminal Arm (Recombinant Protein with Shortened C-Terminal, ADH508)

Enzymatic activity of Structure and Function of Aldehyde Dehydrogenase From Thermus Thermophilus: An Enzyme with An Evolutionarily-Distinct C-Terminal Arm (Recombinant Protein with Shortened C-Terminal, ADH508)

All present enzymatic activity of Structure and Function of Aldehyde Dehydrogenase From Thermus Thermophilus: An Enzyme with An Evolutionarily-Distinct C-Terminal Arm (Recombinant Protein with Shortened C-Terminal, ADH508):
1.2.1.3;

Protein crystallography data

The structure of Structure and Function of Aldehyde Dehydrogenase From Thermus Thermophilus: An Enzyme with An Evolutionarily-Distinct C-Terminal Arm (Recombinant Protein with Shortened C-Terminal, ADH508), PDB code: 6fkv was solved by K.A.Hayes, M.R.Noor, A.Djeghader, T.Soulimane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.04 / 2.90
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 105.190, 105.190, 314.570, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 22.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure and Function of Aldehyde Dehydrogenase From Thermus Thermophilus: An Enzyme with An Evolutionarily-Distinct C-Terminal Arm (Recombinant Protein with Shortened C-Terminal, ADH508) (pdb code 6fkv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure and Function of Aldehyde Dehydrogenase From Thermus Thermophilus: An Enzyme with An Evolutionarily-Distinct C-Terminal Arm (Recombinant Protein with Shortened C-Terminal, ADH508), PDB code: 6fkv:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6fkv

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Chlorine binding site 1 out of 4 in the Structure and Function of Aldehyde Dehydrogenase From Thermus Thermophilus: An Enzyme with An Evolutionarily-Distinct C-Terminal Arm (Recombinant Protein with Shortened C-Terminal, ADH508)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure and Function of Aldehyde Dehydrogenase From Thermus Thermophilus: An Enzyme with An Evolutionarily-Distinct C-Terminal Arm (Recombinant Protein with Shortened C-Terminal, ADH508) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl607

b:63.2
occ:1.00
 NH1 A:ARG342 3.1 75.4 1.0
NH2 A:ARG346 3.3 58.9 1.0
NH1 A:ARG346 3.3 65.0 1.0
CB A:SER240 3.7 59.4 1.0
OG A:SER240 3.7 63.8 1.0
CZ A:ARG346 3.8 64.1 1.0
CD A:ARG342 4.2 78.8 1.0
CZ A:ARG342 4.2 81.2 1.0
NE A:ARG342 4.6 78.6 1.0
N A:SER240 4.7 51.8 1.0
CA A:SER240 4.8 53.5 1.0
O1 A:PEG602 4.9 74.0 1.0
CG A:ARG342 5.0 66.5 1.0

Chlorine binding site 2 out of 4 in 6fkv

Go back to Chlorine Binding Sites List in 6fkv
Chlorine binding site 2 out of 4 in the Structure and Function of Aldehyde Dehydrogenase From Thermus Thermophilus: An Enzyme with An Evolutionarily-Distinct C-Terminal Arm (Recombinant Protein with Shortened C-Terminal, ADH508)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure and Function of Aldehyde Dehydrogenase From Thermus Thermophilus: An Enzyme with An Evolutionarily-Distinct C-Terminal Arm (Recombinant Protein with Shortened C-Terminal, ADH508) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl608

b:60.0
occ:1.00
 CB A:ARG342 3.6 56.2 1.0
N A:ARG342 3.7 51.2 1.0
NE A:ARG342 3.9 78.6 1.0
N A:GLU341 4.1 59.6 1.0
CB A:GLU341 4.2 65.4 1.0
CB A:ASN340 4.2 52.6 1.0
CA A:ARG342 4.4 50.2 1.0
CA A:GLU341 4.5 58.0 1.0
NH2 A:ARG342 4.5 87.4 1.0
CG A:ASN340 4.5 54.1 1.0
OD1 A:ASN340 4.6 53.3 1.0
C A:GLU341 4.6 54.2 1.0
CZ A:ARG342 4.7 81.2 1.0
CD A:ARG342 4.7 78.8 1.0
CG A:ARG342 4.8 66.5 1.0
C A:ASN340 5.0 54.5 1.0

Chlorine binding site 3 out of 4 in 6fkv

Go back to Chlorine Binding Sites List in 6fkv
Chlorine binding site 3 out of 4 in the Structure and Function of Aldehyde Dehydrogenase From Thermus Thermophilus: An Enzyme with An Evolutionarily-Distinct C-Terminal Arm (Recombinant Protein with Shortened C-Terminal, ADH508)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure and Function of Aldehyde Dehydrogenase From Thermus Thermophilus: An Enzyme with An Evolutionarily-Distinct C-Terminal Arm (Recombinant Protein with Shortened C-Terminal, ADH508) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl609

b:67.5
occ:1.00
 NH1 A:ARG360 3.6 96.0 1.0
O A:GLU393 4.0 52.5 1.0
CB A:GLU393 4.0 54.9 1.0
C A:GLU393 4.1 50.2 1.0
N A:VAL394 4.2 44.8 1.0
NH2 A:ARG395 4.3 68.0 1.0
C A:VAL394 4.5 47.7 1.0
CA A:VAL394 4.5 45.9 1.0
CA A:GLU393 4.7 52.4 1.0
N A:ARG395 4.7 51.1 1.0
CZ A:ARG360 4.8 97.8 1.0
CZ A:ARG395 4.8 79.8 1.0
O A:VAL394 4.9 46.6 1.0
CB A:ARG360 5.0 65.3 1.0
N A:ARG360 5.0 50.0 1.0

Chlorine binding site 4 out of 4 in 6fkv

Go back to Chlorine Binding Sites List in 6fkv
Chlorine binding site 4 out of 4 in the Structure and Function of Aldehyde Dehydrogenase From Thermus Thermophilus: An Enzyme with An Evolutionarily-Distinct C-Terminal Arm (Recombinant Protein with Shortened C-Terminal, ADH508)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure and Function of Aldehyde Dehydrogenase From Thermus Thermophilus: An Enzyme with An Evolutionarily-Distinct C-Terminal Arm (Recombinant Protein with Shortened C-Terminal, ADH508) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl610

b:66.5
occ:1.00
 O A:HOH703 2.7 27.4 1.0
NH2 A:ARG342 3.1 87.4 1.0
OG A:SER184 3.1 49.7 1.0
OD2 A:ASP186 3.7 75.8 1.0
CB A:SER184 4.0 49.5 1.0
CZ A:ARG342 4.1 81.2 1.0
CA A:SER184 4.2 49.2 1.0
NH1 A:ARG342 4.4 75.4 1.0
OE2 A:GLU185 4.5 95.3 1.0
CG A:ASP186 4.5 69.1 1.0
N A:GLU185 4.6 61.9 1.0
CG A:GLU185 4.7 72.7 1.0
OD1 A:ASP186 4.9 66.0 1.0
C A:SER184 4.9 56.5 1.0
CA A:ALA157 5.0 45.4 1.0
ND2 A:ASN340 5.0 58.7 1.0

Reference:

K.Hayes, M.Noor, A.Djeghader, P.Armshaw, T.Pembroke, S.Tofail, T.Soulimane. The Quaternary Structure of Thermus Thermophilus Aldehyde Dehydrogenase Is Stabilized By An Evolutionary Distinct C-Terminal Arm Extension. Sci Rep V. 8 13327 2018.
ISSN: ESSN 2045-2322
PubMed: 30190503
DOI: 10.1038/S41598-018-31724-8
Page generated: Sat Jul 27 23:21:04 2024

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