Calcium in PDB 7y0f: Crystal Structure of TMPRSS2 in Complex with Uk-371804

The structure of Crystal Structure of TMPRSS2 in Complex with Uk-371804, PDB code: 7y0f was solved by H.Wang, Y.Duan, X.Liu, L.Sun, H.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.25 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.045, 91.208, 90.696, 90, 100.44, 90
R / Rfree (%)	21.7 / 23.7

The structure of Crystal Structure of TMPRSS2 in Complex with Uk-371804 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of TMPRSS2 in Complex with Uk-371804 (pdb code 7y0f). 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 TMPRSS2 in Complex with Uk-371804, PDB code: 7y0f:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of TMPRSS2 in Complex with Uk-371804


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 TMPRSS2 in Complex with Uk-371804 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:69.9 occ:1.00 O A:ASN131 2.3 68.9 1.0 OD2 A:ASP144 2.3 55.9 1.0 O A:VAL136 2.3 52.0 1.0 OD1 A:ASP134 2.6 62.7 1.0 OE2 A:GLU145 2.8 47.8 1.0 ND1 A:HIS138 2.9 68.5 1.0 CG A:HIS138 3.4 68.2 1.0 CG A:ASP144 3.4 54.5 1.0 C A:ASN131 3.5 70.6 1.0 C A:VAL136 3.5 51.4 1.0 CB A:HIS138 3.6 59.9 1.0 CG A:ASP134 3.6 65.0 1.0 CE1 A:HIS138 3.7 69.2 1.0 N A:HIS138 3.7 53.8 1.0 CD A:GLU145 3.8 48.6 1.0 OD2 A:ASP134 4.0 61.6 1.0 CB A:ASP144 4.0 55.3 1.0 CG A:GLU145 4.0 50.9 1.0 CD2 A:HIS138 4.2 62.8 1.0 CA A:ASN131 4.3 72.3 1.0 CA A:HIS138 4.3 54.7 1.0 CB A:ASN131 4.3 69.0 1.0 N A:VAL136 4.4 58.6 1.0 NE2 A:HIS138 4.4 62.9 1.0 CA A:VAL136 4.4 60.5 1.0 C A:SER137 4.4 57.6 1.0 N A:SER137 4.4 52.5 1.0 OD1 A:ASP144 4.4 51.6 1.0 N A:TRP132 4.5 72.1 1.0 CA A:SER137 4.5 53.2 1.0 N A:ASP134 4.5 53.1 1.0 N A:CYS133 4.5 51.7 1.0 CA A:TRP132 4.6 58.5 1.0 CB A:VAL136 4.7 66.5 1.0 CB A:ASP134 4.8 63.7 1.0 O A:ASP144 4.8 49.6 1.0 OE1 A:GLU145 4.9 53.5 1.0 C A:TRP132 4.9 53.9 1.0 C A:ASP144 4.9 45.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of TMPRSS2 in Complex with Uk-371804


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 TMPRSS2 in Complex with Uk-371804 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca602 b:61.0 occ:1.00 O B:VAL136 2.2 70.4 1.0 O B:ASN131 2.3 59.8 1.0 OD2 B:ASP144 2.4 66.6 1.0 OD1 B:ASP134 2.4 57.0 1.0 ND1 B:HIS138 2.5 58.8 1.0 OE2 B:GLU145 2.6 60.6 1.0 CG B:ASP134 3.4 59.1 1.0 CE1 B:HIS138 3.4 65.2 1.0 C B:ASN131 3.5 56.2 1.0 C B:VAL136 3.5 65.3 1.0 CG B:HIS138 3.5 62.5 1.0 CG B:ASP144 3.5 64.7 1.0 N B:HIS138 3.6 60.5 1.0 OD2 B:ASP134 3.7 59.4 1.0 CD B:GLU145 3.7 57.7 1.0 CB B:HIS138 3.8 66.1 1.0 CB B:ASP144 4.1 62.5 1.0 CB B:ASN131 4.2 50.5 1.0 CA B:ASN131 4.2 56.0 1.0 CG B:GLU145 4.2 57.4 1.0 N B:VAL136 4.3 66.6 1.0 CA B:HIS138 4.3 68.9 1.0 CA B:VAL136 4.4 69.2 1.0 N B:ASP134 4.4 52.5 1.0 N B:SER137 4.4 66.5 1.0 CA B:SER137 4.5 70.4 1.0 C B:SER137 4.5 70.4 1.0 N B:TRP132 4.5 54.1 1.0 N B:CYS133 4.5 55.9 1.0 NE2 B:HIS138 4.6 72.9 1.0 OD1 B:ASP144 4.6 67.0 1.0 CD2 B:HIS138 4.6 67.4 1.0 CB B:ASP134 4.6 59.6 1.0 CB B:VAL136 4.7 65.3 1.0 CA B:TRP132 4.7 51.1 1.0 OE1 B:GLU145 4.8 57.7 1.0 C B:TRP132 4.9 53.0 1.0 O B:ASP144 5.0 61.1 1.0 N B:GLY135 5.0 55.2 1.0 CA B:ASP134 5.0 59.9 1.0

H.Wang, Y.Duan, X.Liu, L.Sun, H.Yang. Crystal Structure of TMPRSS2 in Complex with Uk-371804 To Be Published.