Calcium in PDB 6jtu: Crystal Structure of Mhetase From Ideonella Sakaiensis

All present enzymatic activity of Crystal Structure of Mhetase From Ideonella Sakaiensis:
3.1.1.102;

The structure of Crystal Structure of Mhetase From Ideonella Sakaiensis, PDB code: 6jtu was solved by H.-Y.Sagong, H.Seo, K.-J.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.21 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	214.931, 173.163, 107.225, 90.00, 119.86, 90.00
R / Rfree (%)	17.1 / 19.8

The binding sites of Calcium atom in the Crystal Structure of Mhetase From Ideonella Sakaiensis (pdb code 6jtu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Mhetase From Ideonella Sakaiensis, PDB code: 6jtu:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Mhetase From Ideonella Sakaiensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Mhetase From Ideonella Sakaiensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:36.6 occ:1.00 O A:ILE313 2.4 31.6 1.0 O A:LEU309 2.4 41.3 1.0 OD1 A:ASP304 2.4 35.1 1.0 OD2 A:ASP307 2.5 34.5 1.0 OD1 A:ASP311 2.5 37.5 1.0 O A:ASP304 2.6 35.7 1.0 OD1 A:ASP307 2.6 39.7 1.0 CG A:ASP307 2.9 39.5 1.0 CG A:ASP311 3.5 37.4 1.0 C A:ASP304 3.5 37.5 1.0 C A:LEU309 3.6 38.3 1.0 C A:ILE313 3.6 33.6 1.0 CG A:ASP304 3.7 35.8 1.0 OD2 A:ASP311 3.9 33.1 1.0 CA A:ASP304 4.0 34.4 1.0 N A:ASP311 4.2 39.7 1.0 N A:ILE313 4.3 30.3 1.0 CA A:ILE313 4.4 35.5 1.0 CB A:ASP307 4.4 40.7 1.0 CB A:ASP304 4.5 33.2 1.0 CA A:LEU309 4.5 40.4 1.0 N A:ALA310 4.5 39.0 1.0 N A:ALA305 4.6 37.1 1.0 N A:LEU309 4.6 39.4 1.0 CB A:LEU309 4.6 41.0 1.0 OD2 A:ASP304 4.6 36.4 1.0 CB A:ILE313 4.6 33.8 1.0 N A:VAL314 4.6 34.1 1.0 CA A:ALA310 4.6 42.6 1.0 N A:ASP315 4.6 33.7 1.0 CB A:ASP311 4.6 37.2 1.0 CA A:VAL314 4.8 33.4 1.0 C A:ALA310 4.8 43.4 1.0 CA A:ASP311 4.9 33.8 1.0 CA A:ALA305 4.9 37.5 1.0 OD2 A:ASP315 4.9 42.6 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Mhetase From Ideonella Sakaiensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Mhetase From Ideonella Sakaiensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca701 b:32.2 occ:1.00 OD1 B:ASP304 2.3 33.5 1.0 O B:LEU309 2.4 34.9 1.0 O B:ILE313 2.4 30.0 1.0 OD1 B:ASP311 2.4 32.5 1.0 OD2 B:ASP307 2.5 33.5 1.0 O B:ASP304 2.5 31.4 1.0 OD1 B:ASP307 2.7 34.6 1.0 CG B:ASP307 2.9 33.1 1.0 CG B:ASP311 3.5 31.4 1.0 C B:ASP304 3.5 33.1 1.0 C B:LEU309 3.6 35.5 1.0 C B:ILE313 3.6 30.7 1.0 CG B:ASP304 3.6 31.9 1.0 OD2 B:ASP311 3.9 33.1 1.0 CA B:ASP304 3.9 31.8 1.0 N B:ASP311 4.1 31.0 1.0 N B:ILE313 4.2 27.2 1.0 CA B:ILE313 4.3 30.7 1.0 CB B:ASP304 4.4 33.8 1.0 O B:HOH882 4.4 28.7 1.0 CB B:ASP307 4.4 33.0 1.0 N B:ALA310 4.5 35.6 1.0 CA B:LEU309 4.5 36.4 1.0 OD2 B:ASP315 4.5 44.5 1.0 OD2 B:ASP304 4.5 33.4 1.0 N B:ALA305 4.5 34.5 1.0 CA B:ALA310 4.6 38.5 1.0 N B:LEU309 4.6 36.8 1.0 N B:VAL314 4.6 31.3 1.0 CB B:ASP311 4.6 31.1 1.0 CB B:LEU309 4.7 37.1 1.0 CB B:ILE313 4.7 29.9 1.0 N B:ASP315 4.7 29.7 1.0 CA B:VAL314 4.7 28.1 1.0 C B:ALA310 4.8 36.9 1.0 CA B:ASP311 4.8 30.9 1.0 CA B:ALA305 4.9 34.9 1.0 N B:GLY312 4.9 28.8 1.0 O B:HOH998 5.0 43.9 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Mhetase From Ideonella Sakaiensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Mhetase From Ideonella Sakaiensis within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca701 b:26.4 occ:1.00 O C:ILE313 2.3 25.1 1.0 O C:LEU309 2.3 32.7 1.0 OD1 C:ASP304 2.4 32.8 1.0 OD1 C:ASP311 2.5 24.1 1.0 O C:ASP304 2.5 27.6 1.0 OD2 C:ASP307 2.5 28.1 1.0 OD1 C:ASP307 2.8 27.7 1.0 CG C:ASP307 3.0 33.7 1.0 C C:ASP304 3.5 29.3 1.0 CG C:ASP311 3.5 26.8 1.0 C C:ILE313 3.5 29.4 1.0 C C:LEU309 3.6 37.3 1.0 CG C:ASP304 3.7 31.5 1.0 OD2 C:ASP311 4.0 25.1 1.0 CA C:ASP304 4.0 30.6 1.0 N C:ASP311 4.1 30.4 1.0 N C:ILE313 4.2 28.1 1.0 CA C:ILE313 4.3 28.2 1.0 OD2 C:ASP315 4.3 41.2 1.0 CB C:ASP304 4.4 31.7 1.0 O C:HOH934 4.5 29.0 1.0 CA C:LEU309 4.5 32.8 1.0 N C:ALA305 4.5 31.0 1.0 N C:ALA310 4.5 34.0 1.0 CB C:ASP307 4.5 31.0 1.0 N C:VAL314 4.6 27.0 1.0 CA C:ALA310 4.6 34.3 1.0 N C:LEU309 4.6 34.5 1.0 OD2 C:ASP304 4.6 30.8 1.0 CB C:ASP311 4.6 29.7 1.0 N C:ASP315 4.6 28.1 1.0 CB C:LEU309 4.6 34.8 1.0 CB C:ILE313 4.7 30.9 1.0 C C:ALA310 4.7 33.6 1.0 CA C:VAL314 4.7 27.3 1.0 CA C:ALA305 4.8 32.0 1.0 CA C:ASP311 4.8 28.0 1.0

H.-Y.Sagong, H.Seo, K.-J.Kim. Structural Insight Into Mhet Hydrolysis By Mhetase To Be Published.