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Chlorine in PDB 1bxz: Crystal Structure of A Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii

Enzymatic activity of Crystal Structure of A Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii

All present enzymatic activity of Crystal Structure of A Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii:
1.1.1.2;

Protein crystallography data

The structure of Crystal Structure of A Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii, PDB code: 1bxz was solved by C.Li, J.Heatwole, S.Soelaiman, M.Shoham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.99
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.450, 123.080, 168.030, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 26.4

Other elements in 1bxz:

The structure of Crystal Structure of A Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms
Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii (pdb code 1bxz). 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 Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii, PDB code: 1bxz:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1bxz

Go back to Chlorine Binding Sites List in 1bxz
Chlorine binding site 1 out of 4 in the Crystal Structure of A Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii


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 Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl355

b:27.1
occ:1.00
 NZ A:LYS234 3.2 46.0 1.0
NH1 A:ARG193 3.6 28.3 1.0
CE A:LYS234 3.8 45.5 1.0
OG1 A:THR169 4.3 33.1 1.0
CA A:THR231 4.4 39.1 1.0
CG2 A:THR231 4.6 37.0 1.0
CD A:ARG193 4.6 28.2 1.0
CB A:THR231 4.6 39.9 1.0
O A:LEU230 4.7 38.6 1.0
CZ A:ARG193 4.8 29.5 1.0
C A:THR231 5.0 40.2 1.0

Chlorine binding site 2 out of 4 in 1bxz

Go back to Chlorine Binding Sites List in 1bxz
Chlorine binding site 2 out of 4 in the Crystal Structure of A Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii


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 Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl355

b:25.7
occ:1.00
 NZ B:LYS234 3.1 44.3 1.0
NH1 B:ARG193 3.3 25.5 1.0
CE B:LYS234 4.0 44.1 1.0
CD B:ARG193 4.2 28.1 1.0
OG1 B:THR169 4.2 33.1 1.0
CA B:THR231 4.4 39.4 1.0
CZ B:ARG193 4.5 27.5 1.0
CG2 B:THR231 4.5 34.3 1.0
O B:LEU230 4.6 42.1 1.0
CB B:THR231 4.6 37.8 1.0
OH D:TYR311 4.8 26.6 1.0
NE B:ARG193 4.8 28.6 1.0

Chlorine binding site 3 out of 4 in 1bxz

Go back to Chlorine Binding Sites List in 1bxz
Chlorine binding site 3 out of 4 in the Crystal Structure of A Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii


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 Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl355

b:29.4
occ:1.00
 O A:HOH504 2.6 21.9 1.0
NH1 C:ARG193 3.4 32.3 1.0
NZ C:LYS234 4.0 45.0 1.0
CD C:ARG193 4.3 27.1 1.0
OG1 C:THR169 4.3 34.2 1.0
CE C:LYS234 4.3 41.4 1.0
CA C:THR231 4.6 41.0 1.0
CZ C:ARG193 4.6 31.1 1.0
CG2 C:THR231 4.7 37.9 1.0
O C:LEU230 4.7 38.6 1.0
OH A:TYR311 4.7 28.6 1.0
CB C:THR231 4.8 40.1 1.0
NE C:ARG193 4.9 30.1 1.0

Chlorine binding site 4 out of 4 in 1bxz

Go back to Chlorine Binding Sites List in 1bxz
Chlorine binding site 4 out of 4 in the Crystal Structure of A Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii


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 Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl355

b:45.5
occ:1.00
 NH1 D:ARG193 3.1 34.1 1.0
NZ D:LYS234 3.8 47.1 1.0
CE D:LYS234 4.3 43.1 1.0
CA D:THR231 4.3 43.9 1.0
CD D:ARG193 4.3 31.1 1.0
CZ D:ARG193 4.4 36.3 1.0
O D:LEU230 4.4 45.3 1.0
CG2 D:THR231 4.6 43.6 1.0
MG B:MG356 4.6 35.5 1.0
CB D:THR231 4.6 43.1 1.0
OH B:TYR311 4.7 30.9 1.0
OG1 D:THR169 4.8 33.8 1.0
NE D:ARG193 4.8 33.8 1.0
C D:THR231 5.0 43.3 1.0

Reference:

C.Li, J.Heatwole, S.Soelaiman, M.Shoham. Crystal Structure of A Thermophilic Alcohol Dehydrogenase Substrate Complex Suggests Determinants of Substrate Specificity and Thermostability. Proteins V. 37 619 1999.
ISSN: ISSN 0887-3585
PubMed: 10651277
DOI: 10.1002/(SICI)1097-0134(19991201)37:4<619::AID-PROT12>3.0.CO;2-H
Page generated: Fri Jul 19 21:05:27 2024

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