Calcium in PDB 6qz4: Structure of Mhetase From Ideonella Sakaiensis

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

The structure of Structure of Mhetase From Ideonella Sakaiensis, PDB code: 6qz4 was solved by M.D.Allen, C.W.Johnson, B.C.Knott, G.T.Beckham, J.E.Mcgeehan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.24 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	90.212, 92.804, 159.991, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 20.5

The binding sites of Calcium atom in the Structure of Mhetase From Ideonella Sakaiensis (pdb code 6qz4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Mhetase From Ideonella Sakaiensis, PDB code: 6qz4:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 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 Structure of Mhetase From Ideonella Sakaiensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca801 b:20.3 occ:1.00 O A:LEU309 2.3 19.4 1.0 O A:ILE313 2.4 19.2 1.0 OD1 A:ASP304 2.4 20.4 1.0 OD1 A:ASP311 2.5 21.4 1.0 O A:HOH916 2.5 21.6 1.0 OD2 A:ASP307 2.5 23.0 1.0 O A:ASP304 2.6 21.8 1.0 OD1 A:ASP307 2.6 22.9 1.0 CG A:ASP307 2.9 21.6 1.0 C A:ASP304 3.5 21.6 1.0 CG A:ASP311 3.5 23.3 1.0 C A:LEU309 3.6 23.3 1.0 C A:ILE313 3.6 19.7 1.0 CG A:ASP304 3.7 21.2 1.0 N A:ASP311 4.0 18.5 1.0 OD2 A:ASP311 4.0 23.3 1.0 CA A:ASP304 4.1 19.5 1.0 N A:ILE313 4.2 17.9 1.0 OD2 A:ASP315 4.2 31.0 1.0 CA A:ILE313 4.4 17.2 1.0 O A:HOH984 4.4 21.0 1.0 CB A:ASP307 4.4 17.9 1.0 CA A:LEU309 4.4 19.5 1.0 N A:LEU309 4.5 19.5 1.0 CB A:ASP304 4.5 22.2 1.0 N A:ALA310 4.5 20.2 1.0 N A:ALA305 4.5 21.1 1.0 OD2 A:ASP304 4.5 22.1 1.0 CA A:ALA310 4.6 21.7 1.0 N A:VAL314 4.6 18.5 1.0 N A:ASP315 4.6 18.8 1.0 CB A:LEU309 4.7 21.5 1.0 CB A:ASP311 4.7 19.4 1.0 CA A:VAL314 4.7 19.2 1.0 CB A:ILE313 4.7 19.8 1.0 CA A:ASP311 4.8 21.2 1.0 CA A:ALA305 4.8 22.7 1.0 C A:ALA310 4.8 20.3 1.0 O A:HOH1409 4.8 32.5 1.0 N A:GLY312 4.9 19.1 1.0

Calcium binding site 2 out of 2 in the 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 Structure of Mhetase From Ideonella Sakaiensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca801 b:37.3 occ:1.00 O B:ILE313 2.3 34.0 1.0 O B:LEU309 2.3 40.1 1.0 OD1 B:ASP304 2.5 35.7 1.0 OD1 B:ASP311 2.5 34.8 1.0 O B:ASP304 2.6 39.2 1.0 OD2 B:ASP307 2.6 39.2 1.0 O B:HOH912 2.6 36.0 1.0 OD1 B:ASP307 2.7 35.3 1.0 CG B:ASP307 3.0 37.2 1.0 C B:ILE313 3.5 31.6 1.0 CG B:ASP311 3.5 39.1 1.0 C B:LEU309 3.6 40.1 1.0 C B:ASP304 3.6 39.8 1.0 CG B:ASP304 3.7 43.2 1.0 OD2 B:ASP311 4.0 39.4 1.0 N B:ASP311 4.0 39.4 1.0 CA B:ASP304 4.1 35.9 1.0 N B:ILE313 4.1 35.7 1.0 OD2 B:ASP315 4.2 42.8 1.0 CA B:ILE313 4.3 33.4 1.0 CA B:LEU309 4.5 39.3 1.0 N B:ALA310 4.5 35.6 1.0 CB B:ASP307 4.5 34.9 1.0 CB B:ASP304 4.5 38.4 1.0 N B:VAL314 4.5 32.9 1.0 CA B:ALA310 4.5 38.1 1.0 OD2 B:ASP304 4.6 38.3 1.0 O B:HOH1005 4.6 36.2 1.0 N B:LEU309 4.6 37.8 1.0 O B:HOH1268 4.6 45.9 1.0 N B:ASP315 4.6 31.5 1.0 CB B:LEU309 4.6 43.8 1.0 CB B:ILE313 4.6 34.7 1.0 N B:ALA305 4.6 38.8 1.0 CA B:VAL314 4.7 31.7 1.0 CB B:ASP311 4.7 37.7 1.0 C B:ALA310 4.8 39.2 1.0 CA B:ASP311 4.8 36.6 1.0 CA B:ALA305 4.9 33.2 1.0 N B:GLY312 4.9 30.3 1.0

B.C.Knott, E.Erickson, M.D.Allen, J.E.Gado, R.Graham, F.L.Kearns, I.Pardo, E.Topuzlu, J.J.Anderson, H.P.Austin, G.Dominick, C.W.Johnson, N.A.Rorrer, C.J.Szostkiewicz, V.Copie, C.M.Payne, H.L.Woodcock, B.S.Donohoe, G.T.Beckham, J.E.Mcgeehan. Characterization and Engineering of A Two-Enzyme System For Plastics Depolymerization. Proc.Natl.Acad.Sci.Usa V. 117 25476 2020.
ISSN: ESSN 1091-6490
PubMed: 32989159
DOI: 10.1073/PNAS.2006753117