Zinc in PDB 7xbf: The Complex Structure of RSHSTT182/200 Rbd-INSERT2 Bound to Human ACE2

The structure of The Complex Structure of RSHSTT182/200 Rbd-INSERT2 Bound to Human ACE2, PDB code: 7xbf 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)	40.63 / 3.51
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.391, 123.891, 112.787, 90, 93.26, 90
R / Rfree (%)	19.9 / 23.3

The binding sites of Zinc atom in the The Complex Structure of RSHSTT182/200 Rbd-INSERT2 Bound to Human ACE2 (pdb code 7xbf). 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 Complex Structure of RSHSTT182/200 Rbd-INSERT2 Bound to Human ACE2, PDB code: 7xbf:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the The Complex Structure of RSHSTT182/200 Rbd-INSERT2 Bound to 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 Complex Structure of RSHSTT182/200 Rbd-INSERT2 Bound to Human ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn706 b:90.3 occ:1.00 OE2 A:GLU402 2.0 86.2 1.0 NE2 A:HIS374 2.1 91.7 1.0 NE2 A:HIS378 2.1 94.5 1.0 CD A:GLU402 2.8 89.4 1.0 CD2 A:HIS378 3.0 93.8 1.0 OE1 A:GLU402 3.0 98.4 1.0 CD2 A:HIS374 3.0 88.2 1.0 CE1 A:HIS374 3.1 91.8 1.0 CE1 A:HIS378 3.2 91.0 1.0 OE2 A:GLU375 3.7 91.9 1.0 CG A:GLU402 4.1 78.7 1.0 ND1 A:HIS374 4.1 88.6 1.0 CG A:HIS374 4.1 79.9 1.0 CG A:HIS378 4.2 90.4 1.0 CD A:GLU375 4.2 86.9 1.0 ND1 A:HIS378 4.2 89.6 1.0 OE1 A:GLU375 4.2 86.4 1.0 CB A:GLU402 4.9 75.5 1.0 CA A:GLU402 5.0 88.7 1.0

Zinc binding site 2 out of 2 in the The Complex Structure of RSHSTT182/200 Rbd-INSERT2 Bound to 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 Complex Structure of RSHSTT182/200 Rbd-INSERT2 Bound to Human ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn705 b:103.7 occ:1.00 OE2 C:GLU402 2.0 65.9 1.0 NE2 C:HIS378 2.1 119.7 1.0 NE2 C:HIS374 2.1 90.3 1.0 CD2 C:HIS374 2.6 91.0 1.0 CD C:GLU402 2.8 80.2 1.0 CD2 C:HIS378 2.9 109.8 1.0 OE1 C:GLU402 3.1 89.6 1.0 CE1 C:HIS378 3.2 115.5 1.0 CE1 C:HIS374 3.3 91.7 1.0 OE2 C:GLU375 3.4 99.2 1.0 CD C:GLU375 3.9 97.0 1.0 OE1 C:GLU375 3.9 95.5 1.0 CG C:HIS374 3.9 86.0 1.0 CG C:HIS378 4.1 104.1 1.0 CG C:GLU402 4.1 88.5 1.0 ND1 C:HIS378 4.2 112.8 1.0 ND1 C:HIS374 4.2 90.2 1.0 O C:HIS374 4.8 94.2 1.0 CA C:GLU402 5.0 86.3 1.0 CB C:GLU402 5.0 90.2 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