Calcium in PDB 1t5d: 4-Chlorobenzoyl-Coa Ligase/Synthetase Bound to 4-Chlorobenzoate

All present enzymatic activity of 4-Chlorobenzoyl-Coa Ligase/Synthetase Bound to 4-Chlorobenzoate:
6.2.1.33;

The structure of 4-Chlorobenzoyl-Coa Ligase/Synthetase Bound to 4-Chlorobenzoate, PDB code: 1t5d was solved by A.M.Gulick, X.Lu, D.Dunaway-Mariano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.41 / 2.21
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	124.979, 124.979, 69.001, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 22.3

The structure of 4-Chlorobenzoyl-Coa Ligase/Synthetase Bound to 4-Chlorobenzoate also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the 4-Chlorobenzoyl-Coa Ligase/Synthetase Bound to 4-Chlorobenzoate (pdb code 1t5d). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the 4-Chlorobenzoyl-Coa Ligase/Synthetase Bound to 4-Chlorobenzoate, PDB code: 1t5d:

Calcium binding site 1 out of 1 in the 4-Chlorobenzoyl-Coa Ligase/Synthetase Bound to 4-Chlorobenzoate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 4-Chlorobenzoyl-Coa Ligase/Synthetase Bound to 4-Chlorobenzoate within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca999 b:46.9 occ:1.00 OE1 X:GLN484 2.3 25.1 1.0 O X:HOH1111 2.5 39.8 1.0 O X:HOH1110 2.5 42.7 1.0 OD1 X:ASP483 2.5 24.6 1.0 O X:HOH1113 2.6 38.4 1.0 OD2 X:ASP483 2.7 25.1 1.0 CG X:ASP483 3.0 25.9 1.0 CD X:GLN484 3.4 26.3 1.0 CG X:GLN484 3.9 26.2 1.0 CB X:ASP483 4.5 25.1 1.0 NE2 X:GLN484 4.6 25.3 1.0 O X:HOH1172 4.6 46.4 1.0 O X:HOH1265 4.7 46.4 1.0

A.M.Gulick, X.Lu, D.Dunaway-Mariano. Crystal Structure of 4-Chlorobenzoate:Coa Ligase/Synthetase in the Unliganded and Aryl Substrate-Bound States Biochemistry V. 43 8670 2004.
ISSN: ISSN 0006-2960
PubMed: 15236575
DOI: 10.1021/BI049384M