Zinc in PDB 7xbg: The Crystal Structure of RSHSTT182/200 Rbd-INSERT2-T346R-Y496G Mutant in Complex with Human ACE2

The structure of The Crystal Structure of RSHSTT182/200 Rbd-INSERT2-T346R-Y496G Mutant in Complex with Human ACE2, PDB code: 7xbg was solved by Y.Hu, K.F.Liu, P.Han, J.X.Qi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.40 / 3.37
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.127, 121.435, 110.488, 90, 92.01, 90
R / Rfree (%)	26.9 / 27.4

The binding sites of Zinc atom in the The Crystal Structure of RSHSTT182/200 Rbd-INSERT2-T346R-Y496G Mutant in Complex with Human ACE2 (pdb code 7xbg). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the The Crystal Structure of RSHSTT182/200 Rbd-INSERT2-T346R-Y496G Mutant in Complex with Human ACE2, PDB code: 7xbg:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the The Crystal Structure of RSHSTT182/200 Rbd-INSERT2-T346R-Y496G Mutant in Complex with Human ACE2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of RSHSTT182/200 Rbd-INSERT2-T346R-Y496G Mutant in Complex with Human ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn706 b:107.1 occ:1.00 OE2 A:GLU402 2.0 116.6 1.0 NE2 A:HIS378 2.1 120.5 1.0 NE2 A:HIS374 2.1 112.7 1.0 CD A:GLU402 2.7 116.9 1.0 OE1 A:GLU402 2.9 118.8 1.0 CD2 A:HIS374 2.9 112.5 1.0 CE1 A:HIS378 3.0 116.0 1.0 CE1 A:HIS374 3.0 112.6 1.0 CD2 A:HIS378 3.1 117.9 1.0 OE2 A:GLU375 3.5 110.1 1.0 CG A:HIS374 4.0 109.9 1.0 ND1 A:HIS374 4.1 109.5 1.0 CD A:GLU375 4.1 112.6 1.0 ND1 A:HIS378 4.1 111.6 1.0 CG A:GLU402 4.2 117.2 1.0 CG A:HIS378 4.2 111.6 1.0 OE1 A:GLU375 4.3 115.6 1.0 CA A:GLU402 4.8 115.4 1.0 CB A:GLU402 4.9 115.6 1.0

Zinc binding site 2 out of 2 in the The Crystal Structure of RSHSTT182/200 Rbd-INSERT2-T346R-Y496G Mutant in Complex with Human ACE2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Crystal Structure of RSHSTT182/200 Rbd-INSERT2-T346R-Y496G Mutant in Complex with Human ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn704 b:161.7 occ:1.00 OE2 C:GLU402 2.0 100.5 1.0 NE2 C:HIS374 2.1 111.1 1.0 NE2 C:HIS378 2.1 122.6 1.0 CD2 C:HIS374 2.7 114.7 1.0 CD C:GLU402 2.9 105.3 1.0 CE1 C:HIS378 3.0 119.1 1.0 CD2 C:HIS378 3.0 121.1 1.0 OE2 C:GLU375 3.1 121.0 1.0 OE1 C:GLU402 3.2 108.3 1.0 CE1 C:HIS374 3.3 111.2 1.0 OE1 C:GLU375 3.7 118.5 1.0 CD C:GLU375 3.7 120.7 1.0 ND1 C:HIS378 4.0 119.8 1.0 CG C:HIS374 4.0 114.8 1.0 CG C:HIS378 4.0 120.0 1.0 CG C:GLU402 4.2 104.4 1.0 ND1 C:HIS374 4.2 112.4 1.0

Y.Hu, K.Liu, P.Han, Z.Xu, A.Zheng, X.Pan, Y.Jia, C.Su, L.Tang, L.Wu, B.Bai, X.Zhao, T.Di, Z.Chen, J.Qi, Q.Wang, G.F.Gao. Host Range and Structural Analysis of Bat-Origin RSHSTT182/200 Coronavirus Binding to Human ACE2 and Its Animal Orthologs. Embo J. 11737 2022.
ISSN: ESSN 1460-2075
PubMed: 36519268
DOI: 10.15252/EMBJ.2022111737