Calcium in PDB 1nzy: 4-Chlorobenzoyl Coenzyme A Dehalogenase From Pseudomonas Sp. Strain Cbs-3

All present enzymatic activity of 4-Chlorobenzoyl Coenzyme A Dehalogenase From Pseudomonas Sp. Strain Cbs-3:
3.8.1.6;

The structure of 4-Chlorobenzoyl Coenzyme A Dehalogenase From Pseudomonas Sp. Strain Cbs-3, PDB code: 1nzy was solved by M.M.Benning, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	107.800, 102.400, 90.300, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the 4-Chlorobenzoyl Coenzyme A Dehalogenase From Pseudomonas Sp. Strain Cbs-3 (pdb code 1nzy). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the 4-Chlorobenzoyl Coenzyme A Dehalogenase From Pseudomonas Sp. Strain Cbs-3, PDB code: 1nzy:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the 4-Chlorobenzoyl Coenzyme A Dehalogenase From Pseudomonas Sp. Strain Cbs-3


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 4-Chlorobenzoyl Coenzyme A Dehalogenase From Pseudomonas Sp. Strain Cbs-3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca271 b:14.9 occ:1.00 OE1 A:GLN210 2.6 16.1 1.0 O A:ALA205 2.6 13.2 1.0 OG1 A:THR207 2.7 15.1 1.0 O A:GLY49 2.8 15.6 1.0 O A:ALA203 2.8 16.3 1.0 O A:LEU202 2.8 17.8 1.0 C A:ALA203 3.4 31.2 1.0 CD A:GLN210 3.4 7.2 1.0 N A:THR207 3.6 8.1 1.0 C A:GLY49 3.6 13.4 1.0 CA A:THR207 3.7 10.7 1.0 C A:ALA205 3.7 11.0 1.0 CB A:THR207 3.7 10.1 1.0 CA A:ALA203 3.7 13.3 1.0 CA A:GLY49 3.8 9.6 1.0 C A:LEU202 3.9 9.9 1.0 NE2 A:GLN210 3.9 16.0 1.0 O A:HOH288 4.0 19.4 1.0 N A:ALA205 4.1 15.4 1.0 C A:PRO206 4.2 11.0 1.0 N A:ALA203 4.3 9.7 1.0 N A:ALA204 4.4 21.6 1.0 CA A:ALA205 4.4 14.1 1.0 CG2 A:THR207 4.4 15.1 1.0 CG A:PRO102 4.5 13.5 1.0 C A:ALA204 4.6 22.9 1.0 N A:PRO206 4.6 13.0 1.0 CD A:PRO102 4.6 14.3 1.0 CG A:GLN210 4.7 13.9 1.0 N A:ALA50 4.8 12.8 1.0 CA A:PRO206 4.8 17.5 1.0 O A:HOH323 4.8 25.4 1.0 CB A:ALA205 4.8 14.7 1.0 O A:PRO206 4.9 17.6 1.0 CA A:ALA204 5.0 20.1 1.0

Calcium binding site 2 out of 3 in the 4-Chlorobenzoyl Coenzyme A Dehalogenase From Pseudomonas Sp. Strain Cbs-3


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 4-Chlorobenzoyl Coenzyme A Dehalogenase From Pseudomonas Sp. Strain Cbs-3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca271 b:16.4 occ:1.00 O B:ALA205 2.4 16.4 1.0 OE1 B:GLN210 2.6 12.0 1.0 O B:GLY49 2.7 13.8 1.0 O B:LEU202 2.7 18.2 1.0 O B:ALA203 2.8 18.5 1.0 OG1 B:THR207 2.9 21.5 1.0 C B:ALA203 3.4 18.3 1.0 CD B:GLN210 3.5 19.1 1.0 C B:ALA205 3.5 17.0 1.0 C B:GLY49 3.6 16.7 1.0 N B:THR207 3.6 10.5 1.0 CA B:ALA203 3.6 11.1 1.0 CA B:THR207 3.7 13.4 1.0 C B:LEU202 3.8 31.5 1.0 CA B:GLY49 3.8 17.7 1.0 CB B:THR207 3.8 15.6 1.0 NE2 B:GLN210 3.8 14.6 1.0 O B:HOH938 4.0 18.0 1.0 N B:ALA205 4.0 13.3 1.0 C B:PRO206 4.2 21.0 1.0 N B:ALA203 4.2 15.1 1.0 CA B:ALA205 4.3 21.0 1.0 N B:ALA204 4.4 9.6 1.0 CG2 B:THR207 4.4 13.3 1.0 CG B:PRO102 4.5 15.8 1.0 N B:PRO206 4.5 19.7 1.0 C B:ALA204 4.5 19.3 1.0 CD B:PRO102 4.7 8.6 1.0 CA B:PRO206 4.7 22.5 1.0 N B:ALA50 4.8 16.5 1.0 CB B:ALA205 4.8 14.2 1.0 CG B:GLN210 4.8 10.0 1.0 O B:PRO206 4.8 19.2 1.0 O B:HOH954 4.9 24.2 1.0 CA B:ALA204 4.9 9.7 1.0 CB B:ALA203 4.9 13.6 1.0 O B:HOH920 5.0 22.7 1.0

Calcium binding site 3 out of 3 in the 4-Chlorobenzoyl Coenzyme A Dehalogenase From Pseudomonas Sp. Strain Cbs-3


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of 4-Chlorobenzoyl Coenzyme A Dehalogenase From Pseudomonas Sp. Strain Cbs-3 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca271 b:28.9 occ:1.00 OG1 C:THR207 2.4 29.3 1.0 OE1 C:GLN210 2.6 22.8 1.0 O C:ALA205 2.7 27.1 1.0 O C:LEU202 2.7 28.9 1.0 O C:GLY49 2.7 31.2 1.0 O C:ALA203 2.9 26.0 1.0 C C:ALA203 3.4 29.5 1.0 CD C:GLN210 3.5 23.5 1.0 C C:GLY49 3.5 37.3 1.0 CB C:THR207 3.5 26.0 1.0 N C:THR207 3.6 26.1 1.0 C C:ALA205 3.7 32.4 1.0 CA C:THR207 3.7 21.0 1.0 CA C:ALA203 3.7 29.9 1.0 CA C:GLY49 3.7 31.9 1.0 C C:LEU202 3.8 21.5 1.0 NE2 C:GLN210 3.9 21.9 1.0 O C:HOH383 4.1 42.1 1.0 N C:ALA205 4.1 41.5 1.0 CG2 C:THR207 4.2 23.5 1.0 N C:ALA203 4.2 27.5 1.0 C C:PRO206 4.2 39.0 1.0 CG C:PRO102 4.3 19.5 1.0 CA C:ALA205 4.3 22.1 1.0 N C:ALA204 4.4 30.9 1.0 C C:ALA204 4.5 35.2 1.0 CD C:PRO102 4.6 18.5 1.0 N C:PRO206 4.6 36.1 1.0 CB C:ALA205 4.6 21.0 1.0 CG C:GLN210 4.7 19.9 1.0 O C:HOH375 4.7 40.5 1.0 N C:ALA50 4.7 28.7 1.0 O C:PRO206 4.8 33.7 1.0 CA C:PRO206 4.8 30.4 1.0 CA C:ALA204 4.9 27.2 1.0 O C:ALA204 4.9 38.1 1.0

M.M.Benning, K.L.Taylor, R.-.Q.Liu, G.Yang, H.Xiang, G.Wesenberg, D.Dunaway-Mariano, H.M.Holden. Structure of 4-Chlorobenzoyl Coenzyme A Dehalogenase Determined to 1.8 A Resolution: An Enzyme Catalyst Generated Via Adaptive Mutation. Biochemistry V. 35 8103 1996.
ISSN: ISSN 0006-2960
PubMed: 8679561
DOI: 10.1021/BI960768P