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Chlorine in PDB 2ox4: Crystal Structure of Putative Dehydratase From Zymomonas Mobilis ZM4

Enzymatic activity of Crystal Structure of Putative Dehydratase From Zymomonas Mobilis ZM4

All present enzymatic activity of Crystal Structure of Putative Dehydratase From Zymomonas Mobilis ZM4:
5.1.2.2;

Protein crystallography data

The structure of Crystal Structure of Putative Dehydratase From Zymomonas Mobilis ZM4, PDB code: 2ox4 was solved by Y.Patskovsky, R.Toro, J.M.Sauder, J.C.Freeman, K.Bain, T.Gheyi, S.R.Wasserman, D.Smith, J.Gerlt, S.K.Burley, S.C.Almo, New York Sgxresearch Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.80
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 190.178, 190.409, 85.922, 90.00, 90.00, 90.00
R / Rfree (%) 14.4 / 18.6

Other elements in 2ox4:

The structure of Crystal Structure of Putative Dehydratase From Zymomonas Mobilis ZM4 also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Putative Dehydratase From Zymomonas Mobilis ZM4 (pdb code 2ox4). 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 Putative Dehydratase From Zymomonas Mobilis ZM4, PDB code: 2ox4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2ox4

Go back to Chlorine Binding Sites List in 2ox4
Chlorine binding site 1 out of 4 in the Crystal Structure of Putative Dehydratase From Zymomonas Mobilis ZM4


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 Putative Dehydratase From Zymomonas Mobilis ZM4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:12.4
occ:1.00
 N B:VAL88 3.1 8.2 1.0
N A:VAL88 3.1 7.1 1.0
N B:THR87 3.4 7.4 1.0
N A:THR87 3.5 8.4 1.0
C B:GLY86 3.5 11.4 1.0
CA B:GLY86 3.6 10.3 1.0
CB B:VAL88 3.6 7.4 1.0
C A:GLY86 3.6 7.6 1.0
CA A:GLY86 3.6 8.5 1.0
CB A:VAL88 3.6 9.0 1.0
N B:ILE89 3.7 7.9 1.0
N A:ILE89 3.7 8.0 1.0
CA B:VAL88 3.8 7.0 1.0
CA A:VAL88 3.8 9.8 1.0
CG1 A:ILE89 3.9 9.8 1.0
CG2 B:VAL88 4.0 7.0 1.0
CG2 A:VAL88 4.0 12.9 1.0
C B:THR87 4.1 10.7 1.0
C A:THR87 4.1 8.3 1.0
CG1 B:ILE89 4.1 12.6 1.0
CA B:THR87 4.2 11.4 1.0
O B:GLY86 4.2 10.8 1.0
CA A:THR87 4.2 11.7 1.0
O B:GLY85 4.3 11.6 1.0
O A:GLY85 4.3 10.2 1.0
C B:VAL88 4.3 8.5 1.0
C A:VAL88 4.3 6.1 1.0
O A:GLY86 4.3 7.5 1.0
CB B:THR87 4.5 9.0 1.0
CB A:ILE89 4.5 12.1 1.0
CB A:THR87 4.5 8.7 1.0
CB B:ILE89 4.6 14.3 1.0
N A:GLY86 4.7 10.0 1.0
N B:GLY86 4.7 10.8 1.0
CA A:ILE89 4.7 11.0 1.0
CA B:ILE89 4.7 14.6 1.0
CD1 A:ILE89 4.8 11.1 1.0
C A:GLY85 4.9 9.3 1.0
C B:GLY85 4.9 7.8 1.0
CG1 B:VAL88 4.9 9.8 1.0
CG1 A:VAL88 5.0 11.5 1.0

Chlorine binding site 2 out of 4 in 2ox4

Go back to Chlorine Binding Sites List in 2ox4
Chlorine binding site 2 out of 4 in the Crystal Structure of Putative Dehydratase From Zymomonas Mobilis ZM4


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 Putative Dehydratase From Zymomonas Mobilis ZM4 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:12.0
occ:1.00
 N E:VAL88 3.1 6.5 1.0
N D:VAL88 3.1 6.4 1.0
N D:THR87 3.5 7.1 1.0
N E:THR87 3.5 8.8 1.0
CA E:GLY86 3.5 9.0 1.0
C E:GLY86 3.6 7.2 1.0
CA D:GLY86 3.6 7.4 1.0
C D:GLY86 3.6 9.2 1.0
CB E:VAL88 3.6 7.0 1.0
CB D:VAL88 3.6 5.8 1.0
N D:ILE89 3.6 8.4 1.0
N E:ILE89 3.6 6.8 1.0
CA E:VAL88 3.8 9.2 1.0
CA D:VAL88 3.8 8.0 1.0
CG2 E:VAL88 4.0 9.5 1.0
CG1 E:ILE89 4.0 7.0 1.0
CG2 D:VAL88 4.0 9.1 1.0
CG1 D:ILE89 4.0 11.2 1.0
C E:THR87 4.1 9.5 1.0
C D:THR87 4.1 8.4 1.0
CA E:THR87 4.2 11.4 1.0
CA D:THR87 4.2 10.6 1.0
O E:GLY86 4.2 6.4 1.0
C E:VAL88 4.3 8.3 1.0
C D:VAL88 4.3 11.0 1.0
O E:GLY85 4.3 10.9 1.0
O D:GLY86 4.3 7.6 1.0
O D:GLY85 4.3 10.0 1.0
CB D:THR87 4.5 9.8 1.0
CB D:ILE89 4.5 12.2 1.0
CB E:THR87 4.5 10.6 1.0
CB E:ILE89 4.6 9.4 1.0
N D:GLY86 4.6 7.1 1.0
N E:GLY86 4.6 9.1 1.0
CA D:ILE89 4.7 8.4 1.0
CA E:ILE89 4.7 6.7 1.0
CG1 D:VAL88 4.9 7.9 1.0
C D:GLY85 4.9 9.5 1.0
C E:GLY85 4.9 11.9 1.0
CD1 E:ILE89 4.9 11.5 1.0
CG1 E:VAL88 4.9 7.2 1.0
CD1 D:ILE89 5.0 10.2 1.0

Chlorine binding site 3 out of 4 in 2ox4

Go back to Chlorine Binding Sites List in 2ox4
Chlorine binding site 3 out of 4 in the Crystal Structure of Putative Dehydratase From Zymomonas Mobilis ZM4


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 Putative Dehydratase From Zymomonas Mobilis ZM4 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl501

b:12.0
occ:1.00
 N F:VAL88 3.1 9.3 1.0
N H:VAL88 3.1 8.0 1.0
N F:THR87 3.5 8.9 1.0
N H:THR87 3.5 7.6 1.0
C H:GLY86 3.6 9.8 1.0
CB H:VAL88 3.6 9.4 1.0
CA H:GLY86 3.6 10.0 1.0
CB F:VAL88 3.6 9.7 1.0
N H:ILE89 3.6 7.9 1.0
C F:GLY86 3.6 8.2 1.0
N F:ILE89 3.7 6.4 1.0
CA F:GLY86 3.7 6.4 1.0
CA H:VAL88 3.8 10.2 1.0
CA F:VAL88 3.8 9.7 1.0
CG2 F:VAL88 4.0 8.0 1.0
CG2 H:VAL88 4.0 8.7 1.0
CG1 H:ILE89 4.0 9.3 1.0
CG1 F:ILE89 4.1 9.7 1.0
C F:THR87 4.1 6.4 1.0
C H:THR87 4.1 7.4 1.0
CA F:THR87 4.2 8.2 1.0
C H:VAL88 4.2 8.1 1.0
CA H:THR87 4.2 10.0 1.0
O H:GLY86 4.2 7.8 1.0
C F:VAL88 4.3 9.6 1.0
O H:GLY85 4.3 8.7 1.0
O F:GLY85 4.3 12.7 1.0
O F:GLY86 4.3 6.8 1.0
CB F:THR87 4.5 11.1 1.0
CB H:ILE89 4.5 10.3 1.0
CB F:ILE89 4.6 9.0 1.0
CB H:THR87 4.6 8.9 1.0
N H:GLY86 4.6 6.9 1.0
CA H:ILE89 4.7 7.7 1.0
CA F:ILE89 4.7 7.0 1.0
N F:GLY86 4.7 7.3 1.0
CD1 F:ILE89 4.9 10.0 1.0
CG1 F:VAL88 4.9 13.0 1.0
CG1 H:VAL88 4.9 11.2 1.0
C H:GLY85 4.9 6.3 1.0
CD1 H:ILE89 4.9 12.5 1.0
C F:GLY85 5.0 12.8 1.0

Chlorine binding site 4 out of 4 in 2ox4

Go back to Chlorine Binding Sites List in 2ox4
Chlorine binding site 4 out of 4 in the Crystal Structure of Putative Dehydratase From Zymomonas Mobilis ZM4


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 Putative Dehydratase From Zymomonas Mobilis ZM4 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl501

b:12.3
occ:1.00
 N C:VAL88 3.1 8.1 1.0
N G:VAL88 3.1 8.6 1.0
N G:THR87 3.5 9.7 1.0
N C:THR87 3.5 8.7 1.0
CB C:VAL88 3.5 10.6 1.0
CA G:GLY86 3.6 8.6 1.0
C C:GLY86 3.6 8.4 1.0
CA C:GLY86 3.6 8.7 1.0
C G:GLY86 3.6 10.8 1.0
CB G:VAL88 3.6 13.5 1.0
N C:ILE89 3.6 9.9 1.0
N G:ILE89 3.7 8.8 1.0
CA C:VAL88 3.8 9.2 1.0
CA G:VAL88 3.8 10.5 1.0
CG2 C:VAL88 4.0 10.8 1.0
CG1 C:ILE89 4.0 10.4 1.0
CG2 G:VAL88 4.0 10.3 1.0
CG1 G:ILE89 4.1 8.1 1.0
C C:THR87 4.1 9.1 1.0
C G:THR87 4.1 11.9 1.0
CA G:THR87 4.2 10.6 1.0
O C:GLY86 4.2 6.0 1.0
CA C:THR87 4.2 8.9 1.0
C C:VAL88 4.3 9.0 1.0
O C:GLY85 4.3 9.5 1.0
O G:GLY85 4.3 10.9 1.0
C G:VAL88 4.3 8.2 1.0
O G:GLY86 4.3 9.2 1.0
CB C:THR87 4.5 7.8 1.0
CB G:THR87 4.5 7.4 1.0
CB C:ILE89 4.6 11.1 1.0
CB G:ILE89 4.6 11.7 1.0
N G:GLY86 4.6 9.4 1.0
N C:GLY86 4.6 10.6 1.0
CA C:ILE89 4.7 9.9 1.0
CA G:ILE89 4.7 9.9 1.0
CG1 C:VAL88 4.8 10.2 1.0
C G:GLY85 4.9 10.0 1.0
C C:GLY85 4.9 12.8 1.0
CG1 G:VAL88 4.9 8.7 1.0
CD1 C:ILE89 4.9 13.9 1.0
CD1 G:ILE89 4.9 13.1 1.0

Reference:

Y.Patskovsky, R.Toro, J.M.Sauder, J.C.Freeman, K.Bain, T.Gheyi, S.R.Wasserman, D.Smith, J.Gerlt, S.K.Burley, S.C.Almo. Crystal Structure of Putative Dehydratase From Zymomonas Mobilis ZM4 To Be Published.
Page generated: Sat Jul 20 09:51:45 2024

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