Calcium in PDB 7x2s: Crystal Structure of Hetero-Diels-Alderase PYCR1 in Complex with Neosetophomone B and Tropolone O-Quinone Methide

The structure of Crystal Structure of Hetero-Diels-Alderase PYCR1 in Complex with Neosetophomone B and Tropolone O-Quinone Methide, PDB code: 7x2s was solved by J.Zhou, J.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.18 / 1.92
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.28, 79.28, 164.931, 90, 90, 90
R / Rfree (%)	18.1 / 20.6

The binding sites of Calcium atom in the Crystal Structure of Hetero-Diels-Alderase PYCR1 in Complex with Neosetophomone B and Tropolone O-Quinone Methide (pdb code 7x2s). 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 Crystal Structure of Hetero-Diels-Alderase PYCR1 in Complex with Neosetophomone B and Tropolone O-Quinone Methide, PDB code: 7x2s:

Calcium binding site 1 out of 1 in the Crystal Structure of Hetero-Diels-Alderase PYCR1 in Complex with Neosetophomone B and Tropolone O-Quinone Methide


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 Hetero-Diels-Alderase PYCR1 in Complex with Neosetophomone B and Tropolone O-Quinone Methide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca409 b:27.6 occ:1.00 OE1 A:GLN158 2.3 29.1 1.0 O A:HOH545 2.4 26.0 1.0 OD1 A:ASP275 2.4 31.6 1.0 OE1 A:GLU48 2.5 26.5 1.0 OD1 A:ASN228 2.5 25.4 1.0 O A:HOH594 2.5 26.5 1.0 O A:HOH651 2.5 27.4 1.0 O A:HOH650 3.1 27.6 1.0 CD A:GLN158 3.3 33.3 1.0 CG A:ASN228 3.5 32.1 1.0 CG A:ASP275 3.6 27.1 1.0 CD A:GLU48 3.6 31.4 1.0 ND2 A:ASN228 3.8 27.5 1.0 O A:HOH532 3.9 29.3 1.0 OD2 A:ASP275 4.0 31.9 1.0 CG A:GLN158 4.1 24.6 1.0 NE2 A:GLN158 4.1 29.1 1.0 OE2 A:GLU48 4.2 24.8 1.0 O A:ASP275 4.3 28.2 1.0 C A:ASP275 4.6 29.6 1.0 CG A:GLU48 4.7 24.9 1.0 ND2 A:ASN49 4.7 27.1 1.0 O A:GLU48 4.7 26.7 1.0 O A:THR322 4.7 25.0 1.0 O11 A:80W402 4.8 35.2 0.6 CB A:ASP275 4.8 25.5 1.0 CB A:ASN228 4.8 24.1 1.0 CA A:ASP275 4.9 26.7 1.0 C12 A:80W402 5.0 32.2 0.6 CG2 A:ILE96 5.0 25.0 1.0

J.Zhou, J.Lu. Calcium-Dependent Glycosylated Enzyme in the Tandem Hetero-Diels-Alder Reaction To Be Published.