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Zinc in PDB 3m5l: Crystal Structure of Hcv NS3/4A Protease in Complex with Itmn-191

Enzymatic activity of Crystal Structure of Hcv NS3/4A Protease in Complex with Itmn-191

All present enzymatic activity of Crystal Structure of Hcv NS3/4A Protease in Complex with Itmn-191:
3.4.21.98;

Protein crystallography data

The structure of Crystal Structure of Hcv NS3/4A Protease in Complex with Itmn-191, PDB code: 3m5l was solved by C.A.Schiffer, K.P.Romano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.35 / 1.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.190, 58.740, 61.120, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 16.8

Other elements in 3m5l:

The structure of Crystal Structure of Hcv NS3/4A Protease in Complex with Itmn-191 also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Hcv NS3/4A Protease in Complex with Itmn-191 (pdb code 3m5l). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Hcv NS3/4A Protease in Complex with Itmn-191, PDB code: 3m5l:

Zinc binding site 1 out of 1 in 3m5l

Go back to Zinc Binding Sites List in 3m5l
Zinc binding site 1 out of 1 in the Crystal Structure of Hcv NS3/4A Protease in Complex with Itmn-191


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Hcv NS3/4A Protease in Complex with Itmn-191 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1

b:17.9
occ:1.00
 ND1 A:HIS1149 2.1 19.8 1.0
SG A:CYS1097 2.3 16.4 1.0
SG A:CYS1099 2.3 17.7 1.0
SG A:CYS1145 2.4 19.0 1.0
CG A:HIS1149 3.1 19.4 1.0
CE1 A:HIS1149 3.1 22.4 1.0
CB A:CYS1099 3.3 17.8 1.0
CB A:CYS1145 3.4 16.8 1.0
CB A:HIS1149 3.4 16.7 1.0
CB A:CYS1097 3.4 15.1 1.0
CA A:CYS1097 3.8 15.7 1.0
N A:CYS1099 4.0 17.6 1.0
NE2 A:HIS1149 4.2 24.7 1.0
CD2 A:HIS1149 4.2 22.5 1.0
CA A:CYS1099 4.2 18.4 1.0
N A:THR1098 4.3 17.9 1.0
C A:CYS1097 4.5 16.5 1.0
CA A:HIS1149 4.6 16.0 1.0
N A:HIS1149 4.6 16.7 1.0
CB A:ALA1147 4.7 21.0 1.0
O A:HOH58 4.7 18.9 1.0
O A:HOH191 4.8 32.1 1.0
CA A:CYS1145 4.8 16.4 1.0

Reference:

K.P.Romano, A.Ali, W.E.Royer, C.A.Schiffer. Drug Resistance Against Hcv NS3/4A Inhibitors Is Defined By the Balance of Substrate Recognition Versus Inhibitor Binding. Proc.Natl.Acad.Sci.Usa V. 107 20986 2010.
ISSN: ISSN 0027-8424
PubMed: 21084633
DOI: 10.1073/PNAS.1006370107
Page generated: Sat Oct 26 09:09:50 2024

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