Calcium in PDB 8hd8: Crystal Structure of TMPRSS2 in Complex with 212-148

The structure of Crystal Structure of TMPRSS2 in Complex with 212-148, PDB code: 8hd8 was solved by H.Wang, 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)	46.92 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.474, 93.835, 94.243, 90, 101.13, 90
R / Rfree (%)	18.2 / 21.8

The binding sites of Calcium atom in the Crystal Structure of TMPRSS2 in Complex with 212-148 (pdb code 8hd8). 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 212-148, PDB code: 8hd8:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of TMPRSS2 in Complex with 212-148


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 212-148 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:87.2 occ:1.00 O A:ASN131 2.1 80.0 1.0 O A:VAL136 2.2 76.2 1.0 OD2 A:ASP144 2.3 69.1 1.0 ND1 A:HIS138 2.5 85.9 1.0 OD1 A:ASP134 2.6 81.7 1.0 OE2 A:GLU145 2.7 65.5 1.0 CE1 A:HIS138 3.1 83.4 1.0 C A:ASN131 3.3 80.3 1.0 C A:VAL136 3.4 76.4 1.0 CG A:HIS138 3.5 80.6 1.0 CG A:ASP144 3.5 67.8 1.0 CG A:ASP134 3.7 78.9 1.0 CD A:GLU145 3.7 68.6 1.0 CD1 A:ILE127 3.8 80.9 1.0 CG A:GLU145 4.0 63.2 1.0 CB A:ASN131 4.0 87.7 1.0 CB A:HIS138 4.0 76.9 1.0 N A:HIS138 4.0 74.2 1.0 CA A:ASN131 4.1 85.2 1.0 NE2 A:HIS138 4.1 74.0 1.0 CB A:ASP144 4.2 65.0 1.0 OD2 A:ASP134 4.2 77.5 1.0 N A:VAL136 4.3 78.4 1.0 CD2 A:HIS138 4.3 72.4 1.0 CA A:VAL136 4.3 77.6 1.0 N A:TRP132 4.3 78.0 1.0 N A:SER137 4.4 73.0 1.0 C A:SER137 4.4 75.5 1.0 CA A:SER137 4.4 73.5 1.0 OD1 A:ASP144 4.5 69.9 1.0 CA A:TRP132 4.6 69.7 1.0 N A:ASP134 4.6 62.1 1.0 CB A:VAL136 4.6 79.9 1.0 N A:CYS133 4.7 63.8 1.0 OD1 A:ASN131 4.7 92.3 1.0 CG A:ASN131 4.7 90.4 1.0 CA A:HIS138 4.7 70.2 1.0 CB A:ASP134 4.8 76.9 1.0 O A:ASP144 4.8 55.1 1.0 OE1 A:GLU145 4.8 60.6 1.0 C A:TRP132 4.9 66.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of TMPRSS2 in Complex with 212-148


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 212-148 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:54.6 occ:1.00 OD1 B:ASP134 2.2 62.9 1.0 O B:VAL136 2.2 60.2 1.0 OD2 B:ASP144 2.3 54.5 1.0 O B:ASN131 2.4 55.9 1.0 OE2 B:GLU145 2.4 51.1 1.0 ND1 B:HIS138 2.5 61.9 1.0 CE1 B:HIS138 3.3 57.0 1.0 CG B:ASP134 3.3 59.4 1.0 C B:VAL136 3.4 61.5 1.0 CG B:ASP144 3.5 60.4 1.0 CD B:GLU145 3.5 56.3 1.0 CG B:HIS138 3.5 59.5 1.0 C B:ASN131 3.6 54.6 1.0 N B:HIS138 3.8 62.7 1.0 CB B:HIS138 3.9 56.4 1.0 OD2 B:ASP134 3.9 61.2 1.0 N B:ASP134 4.1 54.6 1.0 CG B:GLU145 4.1 57.4 1.0 N B:VAL136 4.1 57.1 1.0 CB B:ASP144 4.1 58.9 1.0 CA B:VAL136 4.2 60.5 1.0 CB B:ASP134 4.3 57.7 1.0 CB B:ASN131 4.3 60.5 1.0 CA B:ASN131 4.4 57.3 1.0 N B:CYS133 4.4 52.4 1.0 OD1 B:ASP144 4.4 61.8 1.0 NE2 B:HIS138 4.4 64.9 1.0 N B:SER137 4.4 67.8 1.0 CB B:VAL136 4.5 64.2 1.0 CA B:HIS138 4.5 59.7 1.0 OE1 B:GLU145 4.5 61.1 1.0 C B:SER137 4.6 66.2 1.0 CD2 B:HIS138 4.6 61.5 1.0 CA B:SER137 4.6 69.7 1.0 N B:TRP132 4.6 50.8 1.0 CA B:ASP134 4.6 60.9 1.0 O B:ASP144 4.6 50.3 1.0 CA B:TRP132 4.7 52.5 1.0 C B:TRP132 4.8 49.7 1.0 C B:ASP134 4.9 59.3 1.0 N B:GLY135 4.9 64.0 1.0 C B:ASP144 5.0 53.0 1.0

H.Wang, X.Liu, L.Sun, H.Yang. Crystal Structure of TMPRSS2 in Complex with 212-148 To Be Published.