Zinc in PDB 6u7e: Hcov-229E Rbd Class III in Complex with Human Apn

All present enzymatic activity of Hcov-229E Rbd Class III in Complex with Human Apn:
3.4.11.2;

The structure of Hcov-229E Rbd Class III in Complex with Human Apn, PDB code: 6u7e was solved by A.C.A.Tomlinson, Z.Li, J.M.Rini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.09 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	99.320, 98.520, 153.620, 90.00, 104.44, 90.00
R / Rfree (%)	20.4 / 24.4

The binding sites of Zinc atom in the Hcov-229E Rbd Class III in Complex with Human Apn (pdb code 6u7e). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Hcov-229E Rbd Class III in Complex with Human Apn, PDB code: 6u7e:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Hcov-229E Rbd Class III in Complex with Human Apn


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Hcov-229E Rbd Class III in Complex with Human Apn within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn5001 b:85.3 occ:1.00 OE1 A:GLU411 1.8 86.9 1.0 NE2 A:HIS388 2.0 78.7 1.0 NE2 A:HIS392 2.1 90.5 1.0 CD A:GLU411 2.5 84.6 1.0 OE2 A:GLU411 2.6 85.1 1.0 O A:HOH5101 2.7 58.2 1.0 CD2 A:HIS392 2.8 90.6 1.0 CD2 A:HIS388 2.9 78.6 1.0 CE1 A:HIS388 3.1 78.9 1.0 CE1 A:HIS392 3.2 90.2 1.0 OH A:TYR477 3.8 80.3 1.0 CG A:GLU411 4.0 82.3 1.0 CG A:HIS392 4.0 91.2 1.0 CE2 A:TYR477 4.0 80.6 1.0 OE1 A:GLU355 4.1 95.1 1.0 CG A:HIS388 4.1 78.0 1.0 ND1 A:HIS388 4.2 79.0 1.0 ND1 A:HIS392 4.2 91.2 1.0 CZ A:TYR477 4.2 81.0 1.0 CB A:ALA414 4.5 79.7 1.0 OE2 A:GLU389 4.5 84.6 1.0 CB A:GLU411 4.6 83.9 1.0 CA A:GLU411 4.7 85.7 1.0 CD A:GLU355 4.8 92.8 1.0

Zinc binding site 2 out of 2 in the Hcov-229E Rbd Class III in Complex with Human Apn


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Hcov-229E Rbd Class III in Complex with Human Apn within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn5001 b:81.6 occ:1.00 OE1 B:GLU411 1.9 84.3 1.0 NE2 B:HIS388 2.1 74.6 1.0 NE2 B:HIS392 2.1 75.7 1.0 OE2 B:GLU411 2.4 85.0 1.0 CD B:GLU411 2.4 84.3 1.0 CD2 B:HIS392 2.9 74.6 1.0 CD2 B:HIS388 3.0 72.2 1.0 CE1 B:HIS388 3.1 71.4 1.0 CE1 B:HIS392 3.2 74.8 1.0 OE1 B:GLU355 3.6 0.7 1.0 CG B:GLU411 3.9 84.8 1.0 CG B:HIS392 4.1 76.5 1.0 CG B:HIS388 4.2 69.9 1.0 ND1 B:HIS388 4.2 72.1 1.0 ND1 B:HIS392 4.2 74.4 1.0 OE2 B:GLU389 4.2 85.4 1.0 CD B:GLU355 4.3 0.4 1.0 OE2 B:GLU355 4.5 0.2 1.0 CE2 B:TYR477 4.5 61.1 1.0 OE1 B:GLU389 4.5 86.9 1.0 CB B:ALA414 4.5 85.3 1.0 OH B:TYR477 4.6 64.2 1.0 CB B:GLU411 4.6 83.8 1.0 CA B:GLU411 4.7 82.5 1.0 CD B:GLU389 4.7 84.2 1.0 CZ B:TYR477 5.0 62.3 1.0

Z.Li, A.C.A.Tomlinson, A.H.M.Wong, D.Zhou, M.Desforges, P.J.Talbot, S.Benlekbir, J.L.Rubinstein, J.M.Rini. The Human Coronavirus Hcov-229E S-Protein Structure and Receptor Binding. Elife V. 8 2019.
ISSN: ESSN 2050-084X
PubMed: 31650956
DOI: 10.7554/ELIFE.51230