Zinc in PDB 7drv: Structural Basis of Sars-Cov-2-Closely-Related Bat Coronavirus RATG13 to HACE2

Enzymatic activity of Structural Basis of Sars-Cov-2-Closely-Related Bat Coronavirus RATG13 to HACE2

All present enzymatic activity of Structural Basis of Sars-Cov-2-Closely-Related Bat Coronavirus RATG13 to HACE2:
3.4.17.23;

Protein crystallography data

The structure of Structural Basis of Sars-Cov-2-Closely-Related Bat Coronavirus RATG13 to HACE2, PDB code: 7drv was solved by K.F.Liu, X.Q.Pan, L.J.Li, Y.Feng, Y.M.Meng, Y.F.Zhang, L.L.Wu, Q.Chen, A.Q.Zheng, C.L.Song, Y.F.Jia, S.Niu, C.P.Qiao, X.Zhao, D.L.Ma, X.P.Ma, S.G.Tan, J.X.Qi, G.F.Gao, Q.H.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.94 / 3.09
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 81.276, 122.875, 110.742, 90, 95.07, 90
R / Rfree (%) 22.6 / 25

Zinc Binding Sites:

The binding sites of Zinc atom in the Structural Basis of Sars-Cov-2-Closely-Related Bat Coronavirus RATG13 to HACE2 (pdb code 7drv). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structural Basis of Sars-Cov-2-Closely-Related Bat Coronavirus RATG13 to HACE2, PDB code: 7drv:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 7drv

Go back to Zinc Binding Sites List in 7drv
Zinc binding site 1 out of 2 in the Structural Basis of Sars-Cov-2-Closely-Related Bat Coronavirus RATG13 to HACE2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structural Basis of Sars-Cov-2-Closely-Related Bat Coronavirus RATG13 to HACE2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn703

b:298.4
occ:1.00
OE2 A:GLU402 2.2 113.0 1.0
NE2 A:HIS378 2.3 109.7 1.0
NE2 A:HIS374 2.4 98.1 1.0
CD2 A:HIS374 2.5 92.4 1.0
OE1 A:GLU375 2.6 103.4 1.0
CD A:GLU402 3.1 111.0 1.0
CD2 A:HIS378 3.1 94.3 1.0
OE1 A:GLU402 3.3 124.4 1.0
CE1 A:HIS378 3.4 107.9 1.0
CE1 A:HIS374 3.7 97.9 1.0
CD A:GLU375 3.7 89.9 1.0
CG A:HIS374 3.8 83.1 1.0
OE2 A:GLU375 4.3 95.5 1.0
CG A:HIS378 4.3 92.6 1.0
ND1 A:HIS374 4.4 94.4 1.0
ND1 A:HIS378 4.4 96.1 1.0
CG A:GLU402 4.5 96.5 1.0
O A:HIS374 4.5 87.9 1.0
C A:HIS374 4.9 89.1 1.0
CG A:GLU375 4.9 91.5 1.0
CB A:HIS374 5.0 87.9 1.0

Zinc binding site 2 out of 2 in 7drv

Go back to Zinc Binding Sites List in 7drv
Zinc binding site 2 out of 2 in the Structural Basis of Sars-Cov-2-Closely-Related Bat Coronavirus RATG13 to HACE2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structural Basis of Sars-Cov-2-Closely-Related Bat Coronavirus RATG13 to HACE2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:141.0
occ:1.00
OE2 B:GLU402 2.0 100.5 1.0
NE2 B:HIS374 2.2 85.5 1.0
NE2 B:HIS378 2.3 112.9 1.0
CD B:GLU402 2.6 107.4 1.0
OE1 B:GLU402 2.6 114.5 1.0
CD2 B:HIS374 3.0 82.1 1.0
CE1 B:HIS378 3.1 111.4 1.0
CD2 B:HIS378 3.2 102.8 1.0
CE1 B:HIS374 3.3 78.7 1.0
OE2 B:GLU375 3.7 87.8 1.0
CG B:GLU402 4.0 99.6 1.0
CG B:HIS374 4.2 80.1 1.0
ND1 B:HIS378 4.2 105.3 1.0
CG B:HIS378 4.3 100.7 1.0
ND1 B:HIS374 4.3 79.5 1.0
CD B:GLU375 4.4 86.3 1.0
OE1 B:GLU375 4.4 90.0 1.0
CB B:GLU402 4.5 92.6 1.0
CA B:GLU402 4.6 97.4 1.0

Reference:

K.Liu, X.Pan, L.Li, F.Yu, A.Zheng, P.Du, P.Han, Y.Meng, Y.Zhang, L.Wu, Q.Chen, C.Song, Y.Jia, S.Niu, D.Lu, C.Qiao, Z.Chen, D.Ma, X.Ma, S.Tan, X.Zhao, J.Qi, G.F.Gao, Q.Wang. Binding and Molecular Basis of the Bat Coronavirus RATG13 Virus to ACE2 in Humans and Other Species. Cell V. 184 3438 2021.
ISSN: ISSN 1097-4172
PubMed: 34139177
DOI: 10.1016/J.CELL.2021.05.031
Page generated: Fri Sep 24 17:05:18 2021

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