Zinc in PDB 6vw1: Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2

All present enzymatic activity of Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2:
3.4.17.23;

The structure of Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2, PDB code: 6vw1 was solved by J.Shang, G.Ye, K.Shi, Y.S.Wan, H.Aihara, F.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.02 / 2.68
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.435, 118.034, 112.075, 90.00, 93.12, 90.00
R / Rfree (%)	19.7 / 22.9

The structure of Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2 (pdb code 6vw1). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2, PDB code: 6vw1:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn704 b:0.5 occ:1.00 O A:HOH804 2.7 78.4 1.0 OE2 A:GLU375 3.8 89.3 1.0 OE2 A:GLU402 3.8 0.2 1.0 CE1 A:HIS378 4.0 90.4 1.0 OE1 A:GLU375 4.3 89.4 1.0 NE2 A:HIS378 4.3 92.3 1.0 O A:PRO346 4.5 97.7 1.0 CD A:GLU375 4.5 86.4 1.0 ND1 A:HIS378 4.6 90.4 1.0 CD A:GLU402 4.8 0.6 1.0 NE2 A:HIS374 5.0 78.0 1.0

Zinc binding site 2 out of 2 in the Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn703 b:0.8 occ:1.00 OE2 B:GLU375 3.2 96.2 1.0 OE1 B:GLU375 3.9 94.5 1.0 O B:PRO346 4.0 91.7 1.0 OE1 B:GLU402 4.0 94.9 1.0 CD B:GLU375 4.0 90.1 1.0 NE2 B:HIS378 4.0 86.9 1.0 CD2 B:HIS378 4.4 83.0 1.0 CE1 B:HIS378 4.7 85.7 1.0 NE2 B:HIS374 4.7 73.0 1.0 CD B:GLU402 4.7 91.4 1.0 CD2 B:HIS374 4.8 69.2 1.0 OE2 B:GLU402 4.9 92.9 1.0

J.Shang, G.Ye, K.Shi, Y.S.Wan, C.M.Luo, H.Aihara, Q.B.Geng, A.Auerbach, F.Li. Structural Basis For Receptor Recognition By the Novel Coronavirus From Wuhan To Be Published.