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Magnesium 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:

Chlorine (Cl) 4 atoms
Zinc (Zn) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium 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 Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of A Thermophilic Alcohol Dehydrogenase Substrate Complex From Thermoanaerobacter Brockii, PDB code: 1bxz:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 1bxz

Go back to Magnesium Binding Sites List in 1bxz
Magnesium 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 Magnesium with other atoms in the Mg 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:Mg356

b:19.7
occ:1.00
 O A:HOH504 2.7 21.9 1.0
OD1 A:ASP307 3.0 35.6 1.0
CG A:ASP307 4.1 33.7 1.0
OD2 A:ASP307 4.5 37.9 1.0
OH A:TYR311 5.0 28.6 1.0

Magnesium binding site 2 out of 4 in 1bxz

Go back to Magnesium Binding Sites List in 1bxz
Magnesium 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 Magnesium with other atoms in the Mg 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:Mg356

b:35.5
occ:1.00
 OD1 B:ASP307 3.0 38.0 1.0
OH B:TYR311 4.0 30.9 1.0
CG B:ASP307 4.1 34.7 1.0
O B:HOH458 4.2 58.7 1.0
OD2 B:ASP307 4.6 38.0 1.0
CL D:CL355 4.6 45.5 1.0
CD2 B:PHE310 4.8 36.6 1.0
CZ B:TYR311 4.9 28.5 1.0
CE2 B:PHE310 5.0 34.3 1.0

Magnesium binding site 3 out of 4 in 1bxz

Go back to Magnesium Binding Sites List in 1bxz
Magnesium 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 Magnesium with other atoms in the Mg 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:Mg356

b:34.0
occ:1.00
 OD1 C:ASP307 3.2 39.3 1.0
CG C:PRO137 4.2 35.9 1.0
CG C:ASP307 4.3 38.0 1.0
CG C:PHE310 4.5 34.3 1.0
CD2 C:PHE310 4.5 37.5 1.0
OD2 C:ASP307 4.8 39.3 1.0
CD1 C:PHE310 4.8 35.6 1.0
CE2 C:PHE310 4.8 39.1 1.0
CB C:PHE310 4.9 31.1 1.0
CG2 C:ILE306 4.9 31.7 1.0

Magnesium binding site 4 out of 4 in 1bxz

Go back to Magnesium Binding Sites List in 1bxz
Magnesium 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 Magnesium with other atoms in the Mg 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:Mg356

b:33.6
occ:1.00
 OD1 D:ASP307 2.9 40.1 1.0
CG D:ASP307 4.1 36.8 1.0
OH D:TYR311 4.1 26.6 1.0
O D:HOH429 4.5 14.5 1.0
OD2 D:ASP307 4.5 39.4 1.0
CG D:PHE310 4.8 36.4 1.0
CD2 D:PHE310 4.8 37.3 1.0
CG D:PRO137 4.8 39.0 1.0
CE2 D:TYR311 4.9 25.8 1.0
CZ D:TYR311 4.9 25.5 1.0
CD1 D:PHE310 4.9 37.3 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: Tue Aug 13 02:16:13 2024

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