Calcium in PDB 7vmd: Crystal Structure of A Hydrolases PLE628 From Marine Microbial Consortium

The structure of Crystal Structure of A Hydrolases PLE628 From Marine Microbial Consortium, PDB code: 7vmd was solved by P.Wu, Y.P.Zhao, Z.S.Li, M.C.Ingrid, P.Lara, J.Gao, X.Han, Q.Li, O.Basak, W.D.Liu, R.Wei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.97 / 1.69
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.733, 64.54, 81.409, 90, 90, 90
R / Rfree (%)	15.4 / 18.6

The binding sites of Calcium atom in the Crystal Structure of A Hydrolases PLE628 From Marine Microbial Consortium (pdb code 7vmd). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of A Hydrolases PLE628 From Marine Microbial Consortium, PDB code: 7vmd:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of A Hydrolases PLE628 From Marine Microbial Consortium


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 A Hydrolases PLE628 From Marine Microbial Consortium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:18.4 occ:1.00 O A:HOH630 2.2 28.6 1.0 OD1 A:ASN233 2.2 17.7 1.0 OD1 A:ASN232 2.3 15.7 1.0 O A:HOH501 2.4 44.2 1.0 OE1 A:GLU202 2.4 16.8 1.0 CD A:GLU202 3.2 17.6 1.0 CG A:ASN233 3.3 21.5 1.0 OE2 A:GLU202 3.4 16.9 1.0 CG A:ASN232 3.5 15.7 1.0 N A:ASN233 3.9 11.5 1.0 ND2 A:ASN233 3.9 21.2 1.0 ND2 A:ASN232 4.1 17.1 1.0 O A:HOH693 4.1 22.4 1.0 CA A:ASN233 4.3 13.6 1.0 CB A:ASN233 4.4 13.8 1.0 C A:ASN232 4.6 12.0 1.0 CG A:GLU202 4.6 16.6 1.0 O A:HOH546 4.6 28.8 1.0 CB A:ASN232 4.6 11.9 1.0 CA A:ASN232 4.6 12.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of A Hydrolases PLE628 From Marine Microbial Consortium


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 A Hydrolases PLE628 From Marine Microbial Consortium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:30.3 occ:1.00 O A:THR288 2.2 10.9 1.0 O A:HOH482 2.2 13.8 1.0 O A:HOH456 2.3 22.2 1.0 O A:HOH424 2.3 36.5 1.0 O A:PRO290 2.5 14.3 1.0 O A:HOH429 2.5 14.9 1.0 O A:HOH623 2.7 22.1 1.0 C A:THR288 3.4 11.7 1.0 C A:PRO290 3.6 14.1 1.0 CB A:THR288 3.9 10.9 1.0 N A:PRO290 3.9 14.3 1.0 OE1 A:GLU293 3.9 21.4 1.0 C A:CYS289 3.9 11.4 1.0 CA A:THR288 4.2 12.4 1.0 O A:HOH577 4.2 17.6 1.0 O A:CYS289 4.2 12.8 1.0 CD A:PRO290 4.3 15.4 1.0 OG1 A:THR288 4.3 10.3 1.0 OD1 A:ASP225 4.3 12.3 1.0 CA A:PRO290 4.3 11.0 1.0 N A:CYS289 4.4 9.6 1.0 O A:HOH617 4.4 28.8 1.0 CA A:CYS289 4.5 8.6 1.0 O A:HOH509 4.6 30.4 1.0 O A:ASP222 4.6 13.2 1.0 N A:TYR291 4.6 12.2 1.0 CD A:GLU293 4.7 20.9 1.0 CD1 A:TYR291 4.8 10.6 1.0 CA A:TYR291 4.9 12.5 1.0

I.E.Meyer Cifuentes, P.Wu, Y.Zhao, W.Liu, M.Neumann-Schaal, L.Pfaff, J.Barys, Z.Li, J.Gao, X.Han, U.T.Bornscheuer, R.Wei, B.Ozturk. Molecular and Biochemical Differences of the Tandem and Cold-Adapted Pet Hydrolases PLE628 and PLE629, Isolated From A Marine Microbial Consortium. Front Bioeng Biotechnol V. 10 30140 2022.
ISSN: ISSN 2296-4185
PubMed: 35935485
DOI: 10.3389/FBIOE.2022.930140