Calcium in PDB 9jcx: Crystal Structure of the Hcov-HKU1 Rbd and TMPRSS2

The structure of Crystal Structure of the Hcov-HKU1 Rbd and TMPRSS2, PDB code: 9jcx was solved by H.Wang, M.Li, Y.Duan, H.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.95 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.35, 120.72, 126.13, 90, 90, 90
R / Rfree (%)	20.5 / 23.7

The binding sites of Calcium atom in the Crystal Structure of the Hcov-HKU1 Rbd and TMPRSS2 (pdb code 9jcx). 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 the Hcov-HKU1 Rbd and TMPRSS2, PDB code: 9jcx:

Calcium binding site 1 out of 1 in the Crystal Structure of the Hcov-HKU1 Rbd and TMPRSS2


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 the Hcov-HKU1 Rbd and TMPRSS2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:61.1 occ:1.00 OE2 A:GLU145 2.0 73.9 1.0 O A:VAL136 2.2 63.0 1.0 OD2 A:ASP144 2.2 63.8 1.0 ND1 A:HIS138 2.3 68.2 1.0 OD1 A:ASP134 2.3 73.5 1.0 O A:ASN131 2.4 57.4 1.0 CE1 A:HIS138 2.8 68.7 1.0 CD A:GLU145 3.2 63.6 1.0 CG A:ASP134 3.4 67.9 1.0 CG A:ASP144 3.4 67.7 1.0 C A:VAL136 3.5 74.0 1.0 C A:ASN131 3.5 54.1 1.0 CG A:HIS138 3.6 58.0 1.0 CG A:GLU145 3.8 56.6 1.0 N A:HIS138 3.9 59.6 1.0 OD2 A:ASP134 4.0 62.5 1.0 NE2 A:HIS138 4.1 59.8 1.0 CB A:ASP144 4.2 60.3 1.0 CB A:HIS138 4.2 58.3 1.0 CA A:ASN131 4.2 55.4 1.0 OE1 A:GLU145 4.2 61.5 1.0 CB A:ASN131 4.2 71.5 1.0 N A:ASP134 4.3 56.9 1.0 N A:VAL136 4.3 62.1 1.0 OD1 A:ASP144 4.4 82.0 1.0 N A:SER137 4.4 67.8 1.0 CA A:VAL136 4.4 73.3 1.0 CA A:SER137 4.4 59.5 1.0 N A:CYS133 4.4 55.8 1.0 CD2 A:HIS138 4.4 54.3 1.0 C A:SER137 4.5 58.6 1.0 N A:TRP132 4.5 60.3 1.0 CB A:ASP134 4.6 59.0 1.0 CA A:HIS138 4.7 57.1 1.0 CA A:TRP132 4.7 63.1 1.0 N A:GLY135 4.8 64.4 1.0 O A:ASP144 4.8 61.4 1.0 CD1 A:ILE127 4.8 50.8 1.0 CA A:ASP134 4.8 56.2 1.0 CB A:VAL136 4.9 69.7 1.0 C A:TRP132 4.9 59.1 1.0 C A:ASP134 5.0 61.0 1.0

Z.Zhao, Q.Yang, X.Liu, M.Li, Y.Duan, M.Du, A.Zhou, H.Liu, Y.He, W.Wang, Y.Lu, X.Zhang, H.Wang, X.Yang, H.Zhang, X.Chen, Z.Rao, H.Yang. The Crystal Structure of Coronavirus Rbd-TMPRSS2 Complex Provides Basis For the Discovery of Therapeutic Antibodies. Nat Commun V. 16 6636 2025.
ISSN: ESSN 2041-1723
PubMed: 40681508
DOI: 10.1038/S41467-025-62023-2