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Zinc in PDB 1dxp: Inhibition of the Hepatitis C Virus NS3/4A Protease. the Crystal Structures of Two Protease-Inhibitor Complexes (Apo Structure)

Protein crystallography data

The structure of Inhibition of the Hepatitis C Virus NS3/4A Protease. the Crystal Structures of Two Protease-Inhibitor Complexes (Apo Structure), PDB code: 1dxp was solved by S.Di Marco, M.Rizzi, C.Volpari, M.Walsh, F.Narjes, S.Colarusso, R.Defrancesco, V.G.Matassa, M.Sollazzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.40
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 92.980, 92.980, 81.810, 90.00, 90.00, 120.00
R / Rfree (%) 19.8 / 29.8

Zinc Binding Sites:

The binding sites of Zinc atom in the Inhibition of the Hepatitis C Virus NS3/4A Protease. the Crystal Structures of Two Protease-Inhibitor Complexes (Apo Structure) (pdb code 1dxp). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Inhibition of the Hepatitis C Virus NS3/4A Protease. the Crystal Structures of Two Protease-Inhibitor Complexes (Apo Structure), PDB code: 1dxp:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1dxp

Go back to Zinc Binding Sites List in 1dxp
Zinc binding site 1 out of 2 in the Inhibition of the Hepatitis C Virus NS3/4A Protease. the Crystal Structures of Two Protease-Inhibitor Complexes (Apo Structure)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Inhibition of the Hepatitis C Virus NS3/4A Protease. the Crystal Structures of Two Protease-Inhibitor Complexes (Apo Structure) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn201

b:62.1
occ:1.00
O A:HOH2090 2.6 28.3 1.0
SG A:CYS97 2.6 49.8 1.0
SG A:CYS99 2.6 59.8 1.0
SG A:CYS145 2.7 52.0 1.0
CB A:CYS97 3.1 44.3 1.0
CB A:CYS99 3.3 75.7 1.0
N A:CYS99 3.3 79.5 1.0
CB A:CYS145 3.3 37.8 1.0
CA A:CYS97 3.7 57.6 1.0
N A:THR98 3.8 64.9 1.0
CA A:CYS99 3.8 76.5 1.0
O A:HOH2081 4.0 63.5 1.0
C A:CYS97 4.2 58.8 1.0
C A:THR98 4.4 78.8 1.0
OG A:SER147 4.4 75.3 1.0
N A:GLY100 4.4 73.4 1.0
CB A:HIS149 4.5 56.5 1.0
C A:CYS99 4.5 74.1 1.0
CA A:THR98 4.7 76.1 1.0
CA A:CYS145 4.8 31.2 1.0
N A:SER101 5.0 58.8 1.0

Zinc binding site 2 out of 2 in 1dxp

Go back to Zinc Binding Sites List in 1dxp
Zinc binding site 2 out of 2 in the Inhibition of the Hepatitis C Virus NS3/4A Protease. the Crystal Structures of Two Protease-Inhibitor Complexes (Apo Structure)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Inhibition of the Hepatitis C Virus NS3/4A Protease. the Crystal Structures of Two Protease-Inhibitor Complexes (Apo Structure) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn201

b:55.4
occ:1.00
O B:HOH2106 2.4 22.1 1.0
SG B:CYS97 2.5 41.7 1.0
SG B:CYS145 2.6 33.5 1.0
SG B:CYS99 2.6 47.1 1.0
CB B:CYS145 3.1 20.5 1.0
CB B:CYS99 3.2 55.2 1.0
N B:CYS99 3.4 56.0 1.0
CB B:CYS97 3.7 46.4 1.0
OG B:SER147 3.7 69.3 1.0
CA B:CYS99 3.8 47.4 1.0
O B:HOH2096 3.8 41.4 1.0
CA B:CYS97 4.1 46.1 1.0
N B:THR98 4.2 51.6 1.0
CB B:HIS149 4.3 43.3 1.0
N B:GLY100 4.3 45.1 1.0
C B:CYS99 4.4 48.7 1.0
C B:CYS97 4.5 47.9 1.0
C B:THR98 4.5 59.2 1.0
CA B:CYS145 4.6 33.0 1.0
CG B:HIS149 4.8 62.3 1.0
N B:SER101 4.8 43.7 1.0
CA B:THR98 4.9 58.0 1.0

Reference:

S.Di Marco, M.Rizzi, C.Volpari, M.Walsh, F.Narjes, S.Colarusso, R.De Francesco, V.G.Matassa, M.Sollazzo. Inhibition of the Hepatitis C Virus NS3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes J.Biol.Chem. V. 275 7152 2000.
ISSN: ISSN 0021-9258
PubMed: 10702283
DOI: 10.1074/JBC.275.10.7152
Page generated: Wed Dec 16 02:47:34 2020

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