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Chlorine in PDB 3mz0: Crystal Structure of Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis

Enzymatic activity of Crystal Structure of Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis

All present enzymatic activity of Crystal Structure of Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis:
1.1.1.18;

Protein crystallography data

The structure of Crystal Structure of Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis, PDB code: 3mz0 was solved by K.E.Van Straaten, D.R.J.Palmer, D.A.R.Sanders, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.70 / 1.54
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 52.207, 120.054, 129.254, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 19.4

Other elements in 3mz0:

The structure of Crystal Structure of Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis (pdb code 3mz0). 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 Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis, PDB code: 3mz0:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3mz0

Go back to Chlorine Binding Sites List in 3mz0
Chlorine binding site 1 out of 4 in the Crystal Structure of Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis


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 Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl345

b:28.2
occ:1.00
 N A:MSE270 3.2 16.5 1.0
O A:HOH649 3.3 29.9 1.0
CD A:ARG274 3.7 37.9 1.0
N A:ASP271 3.8 24.0 1.0
CB A:MSE270 4.0 21.3 1.0
CA A:LEU269 4.0 14.3 1.0
CA A:MSE270 4.0 17.9 1.0
NE A:ARG274 4.1 47.8 1.0
C A:LEU269 4.1 13.8 1.0
CD2 A:LEU269 4.1 17.2 1.0
CB A:ASP271 4.3 29.1 1.0
CG A:MSE270 4.3 17.6 1.0
CB A:LEU269 4.3 15.3 1.0
C A:MSE270 4.4 19.4 1.0
CA A:ASP271 4.7 26.7 1.0
CG A:ARG274 4.7 30.4 1.0
CG A:LEU269 4.9 17.4 1.0
CB A:ARG274 5.0 25.9 1.0

Chlorine binding site 2 out of 4 in 3mz0

Go back to Chlorine Binding Sites List in 3mz0
Chlorine binding site 2 out of 4 in the Crystal Structure of Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis


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 Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl346

b:22.1
occ:1.00
 O A:HOH545 2.9 33.1 1.0
OG1 A:THR101 3.0 17.6 1.0
O A:HOH383 3.2 16.2 1.0
CB A:THR101 3.6 15.5 1.0
CG2 A:THR101 3.7 18.5 1.0
CB A:PRO77 4.4 14.8 1.0
O A:HOH673 4.9 33.7 1.0
CG A:PRO77 4.9 17.2 1.0
O A:HOH394 5.0 16.4 1.0

Chlorine binding site 3 out of 4 in 3mz0

Go back to Chlorine Binding Sites List in 3mz0
Chlorine binding site 3 out of 4 in the Crystal Structure of Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis


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 Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl347

b:25.1
occ:1.00
 O A:VAL121 2.8 13.8 1.0
OE1 A:GLU113 2.8 16.7 1.0
N A:ALA302 2.9 12.7 1.0
OE2 A:GLU113 3.2 17.4 1.0
CD A:GLU113 3.4 16.7 1.0
CB A:THR301 3.4 14.1 1.0
CA A:THR301 3.4 13.6 1.0
CE1 A:TYR336 3.5 16.4 1.0
C A:THR301 3.6 12.3 1.0
CB A:VAL121 3.7 13.7 1.0
C A:VAL121 3.7 12.5 1.0
CB A:ALA302 3.8 12.1 1.0
CA A:ALA302 3.9 12.7 1.0
CD A:ARG119 4.0 26.7 1.0
CA A:VAL121 4.0 13.6 1.0
N A:VAL121 4.0 14.6 1.0
O A:HOH413 4.1 19.4 1.0
CG2 A:THR301 4.1 16.4 1.0
CD1 A:TYR336 4.3 17.0 1.0
OH A:TYR336 4.4 19.4 1.0
CZ A:TYR336 4.5 16.5 1.0
CB A:ARG119 4.5 19.8 1.0
CG1 A:VAL121 4.5 15.0 1.0
OG1 A:THR301 4.5 13.2 1.0
CG2 A:VAL121 4.7 16.8 1.0
N A:THR301 4.8 12.0 1.0
CG A:ARG119 4.8 27.5 1.0
O A:THR301 4.8 12.6 1.0
CG A:GLU113 4.9 17.8 1.0
O A:HOH466 4.9 24.1 1.0
N A:GLN122 4.9 12.7 1.0
CA A:ARG119 5.0 19.2 1.0
N A:TRP303 5.0 12.3 1.0

Chlorine binding site 4 out of 4 in 3mz0

Go back to Chlorine Binding Sites List in 3mz0
Chlorine binding site 4 out of 4 in the Crystal Structure of Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis


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 Apo Myo-Inositol Dehydrogenase From Bacillus Subtilis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl348

b:21.6
occ:1.00
 O A:HOH408 3.1 17.3 1.0
NZ A:LYS330 3.2 35.1 1.0
CE A:LYS330 4.3 29.7 1.0
CD A:LYS330 4.3 23.2 1.0
CG A:LYS330 4.3 18.2 1.0

Reference:

K.E.Van Straaten, H.Zheng, D.R.Palmer, D.A.Sanders. Structural Investigation of Myo-Inositol Dehydrogenase From Bacillus Subtilis: Implications For Catalytic Mechanism and Inositol Dehydrogenase Subfamily Classification. Biochem.J. V. 432 237 2010.
ISSN: ISSN 0264-6021
PubMed: 20809899
DOI: 10.1042/BJ20101079
Page generated: Sun Jul 21 00:28:24 2024

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