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Zinc in PDB 2z9l: Complex Structure of Sars-Cov 3C-Like Protease with JMF1586

Protein crystallography data

The structure of Complex Structure of Sars-Cov 3C-Like Protease with JMF1586, PDB code: 2z9l was solved by C.C.Lee, A.H.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.920, 96.000, 67.590, 90.00, 103.62, 90.00
R / Rfree (%) 19.6 / 25.9

Zinc Binding Sites:

The binding sites of Zinc atom in the Complex Structure of Sars-Cov 3C-Like Protease with JMF1586 (pdb code 2z9l). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Complex Structure of Sars-Cov 3C-Like Protease with JMF1586, PDB code: 2z9l:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2z9l

Go back to Zinc Binding Sites List in 2z9l
Zinc binding site 1 out of 2 in the Complex Structure of Sars-Cov 3C-Like Protease with JMF1586


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Complex Structure of Sars-Cov 3C-Like Protease with JMF1586 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn701

b:42.7
occ:1.00
ZN A:DAZ701 0.0 42.7 1.0
N1 A:DAZ701 1.9 40.0 1.0
N2 A:DAZ701 2.0 42.2 1.0
NE2 A:HIS41 2.1 39.2 1.0
SG A:CYS145 2.3 37.0 1.0
CD2 A:HIS41 3.0 40.4 1.0
CE1 A:HIS41 3.1 38.8 1.0
CB A:CYS145 3.3 28.1 1.0
O A:HOH926 4.1 38.4 1.0
CG A:HIS41 4.1 40.6 1.0
O A:HIS164 4.1 33.3 1.0
ND1 A:HIS41 4.1 39.2 1.0
C1 A:DMS604 4.7 54.5 1.0
CA A:CYS145 4.8 26.6 1.0
CD2 A:LEU27 4.8 33.2 1.0

Zinc binding site 2 out of 2 in 2z9l

Go back to Zinc Binding Sites List in 2z9l
Zinc binding site 2 out of 2 in the Complex Structure of Sars-Cov 3C-Like Protease with JMF1586


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Complex Structure of Sars-Cov 3C-Like Protease with JMF1586 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn702

b:37.4
occ:1.00
ZN B:DAZ702 0.0 37.4 1.0
N2 B:DAZ702 2.0 34.0 1.0
N1 B:DAZ702 2.0 36.8 1.0
NE2 B:HIS41 2.1 31.4 1.0
SG B:CYS145 2.3 35.6 1.0
CE1 B:HIS41 3.0 28.8 1.0
CD2 B:HIS41 3.2 29.9 1.0
CB B:CYS145 3.2 29.9 1.0
O B:HOH814 3.9 38.4 1.0
O B:HIS164 4.1 27.6 1.0
ND1 B:HIS41 4.2 29.1 1.0
CG B:HIS41 4.3 28.6 1.0
CD2 B:LEU27 4.3 25.8 1.0
C1 B:DMS603 4.4 54.4 1.0
CA B:CYS145 4.6 28.9 1.0

Reference:

C.C.Lee, C.J.Kuo, M.F.Hsu, P.H.Liang, J.M.Fang, J.J.Shie, A.H.Wang. Structural Basis of Mercury- and Zinc-Conjugated Complexes As Sars-Cov 3C-Like Protease Inhibitors. Febs Lett. V. 581 5454 2007.
ISSN: ISSN 0014-5793
PubMed: 17981158
DOI: 10.1016/J.FEBSLET.2007.10.048
Page generated: Thu Oct 24 10:42:08 2024

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