Calcium in PDB 7c29: Esterase CRME10 Mutant-D178A

The structure of Esterase CRME10 Mutant-D178A, PDB code: 7c29 was solved by Z.Li, J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.65 / 2.18
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.012, 70.041, 80.572, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 23.7

The binding sites of Calcium atom in the Esterase CRME10 Mutant-D178A (pdb code 7c29). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Esterase CRME10 Mutant-D178A, PDB code: 7c29:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Esterase CRME10 Mutant-D178A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Esterase CRME10 Mutant-D178A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:43.4 occ:1.00 O A:HOH413 2.4 26.9 1.0 O A:HOH568 2.6 36.8 1.0 O A:HOH481 2.7 31.2 1.0 OD1 A:ASP88 2.7 20.9 1.0 OD2 A:ASP88 2.8 19.6 1.0 CG A:ASP88 3.1 25.1 1.0 O A:HOH542 3.5 25.3 1.0 O A:ALA20 4.2 31.3 1.0 O A:HOH448 4.2 23.3 1.0 OD2 A:ASP22 4.3 31.4 1.0 O A:HOH581 4.4 38.0 1.0 O A:HOH415 4.5 24.1 1.0 CB A:ASP88 4.6 19.8 1.0 O A:HOH584 4.7 25.4 1.0 O A:GLU86 4.9 18.5 1.0

Calcium binding site 2 out of 4 in the Esterase CRME10 Mutant-D178A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Esterase CRME10 Mutant-D178A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:21.0 occ:1.00 OD2 A:ASP37 2.4 16.4 1.0 O A:HOH456 2.5 18.4 1.0 O A:HOH445 2.5 22.3 1.0 CG A:ASP37 3.5 18.1 1.0 OD1 A:ASP37 3.8 16.5 1.0 O A:HOH458 3.9 21.3 1.0 O A:HOH554 4.2 28.6 1.0 OE2 A:GLU40 4.6 19.2 1.0 CB A:ASP37 4.8 16.4 1.0 O A:HOH477 4.8 16.9 1.0

Calcium binding site 3 out of 4 in the Esterase CRME10 Mutant-D178A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Esterase CRME10 Mutant-D178A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:21.0 occ:1.00 O A:ARG122 2.4 18.6 1.0 OE1 A:GLU86 2.4 13.8 1.0 O A:HOH555 2.5 24.7 1.0 OE2 A:GLU86 2.5 13.5 1.0 CD A:GLU86 2.8 17.9 1.0 C A:ARG122 3.5 18.6 1.0 CA A:ARG122 4.1 18.9 1.0 CB A:ARG122 4.2 22.7 1.0 O A:HOH434 4.2 32.3 1.0 CG A:GLU86 4.3 17.2 1.0 O A:HOH419 4.5 21.1 1.0 N A:ASP123 4.6 21.0 1.0 O A:HOH520 4.6 29.0 1.0 CB A:ASP123 4.6 26.9 1.0 CB A:GLU86 4.9 19.9 1.0 CA A:ASP123 4.9 21.5 1.0 C A:ASP123 4.9 18.5 1.0

Calcium binding site 4 out of 4 in the Esterase CRME10 Mutant-D178A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Esterase CRME10 Mutant-D178A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:27.0 occ:1.00 O B:HOH498 2.3 32.5 1.0 OE2 B:GLU86 2.3 19.6 1.0 O B:HOH451 2.5 22.2 1.0 O B:ASP123 2.9 28.6 1.0 O B:HOH543 3.5 34.5 1.0 CD B:GLU86 3.5 20.8 1.0 C B:ASP123 3.9 25.0 1.0 O B:HOH408 3.9 26.6 1.0 CG B:GLU86 4.1 23.3 1.0 O B:ARG122 4.2 22.6 1.0 CB B:ASP123 4.4 22.1 1.0 O B:HOH491 4.5 20.1 1.0 OE1 B:GLU86 4.5 21.5 1.0 N B:ILE124 4.6 21.8 1.0 CA B:ILE124 4.6 19.1 1.0 CG1 B:ILE124 4.7 21.4 1.0 O B:PRO87 4.7 18.2 1.0 CA B:ASP123 4.8 25.9 1.0 O B:HOH488 4.8 26.4 1.0 CD B:PRO125 5.0 19.0 1.0

Z.Li, J.Li. C-Terminal Swapped Dimers Revealed A New Catalytic Mechanism of Sgnh-Hydrolase Family Esterase To Be Published.