Atomistry » Chlorine » PDB 3unh-3uwb » 3ur9
Atomistry »
  Chlorine »
    PDB 3unh-3uwb »
      3ur9 »

Chlorine in PDB 3ur9: 1.65A Resolution Structure of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor

Enzymatic activity of 1.65A Resolution Structure of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor

All present enzymatic activity of 1.65A Resolution Structure of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor:
3.4.22.66;

Protein crystallography data

The structure of 1.65A Resolution Structure of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor, PDB code: 3ur9 was solved by S.Lovell, K.P.Battaile, Y.Kim, K.C.Tiew, S.R.Mandadapu, K.R.Alliston, W.C.Groutas, K.O.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.68 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.649, 66.865, 125.109, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 21.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.65A Resolution Structure of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor (pdb code 3ur9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 1.65A Resolution Structure of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor, PDB code: 3ur9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3ur9

Go back to Chlorine Binding Sites List in 3ur9
Chlorine binding site 1 out of 4 in the 1.65A Resolution Structure of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.65A Resolution Structure of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:13.4
occ:1.00
 CL B:CL201 2.8 12.8 1.0
O B:HOH305 3.1 21.4 1.0
NZ A:LYS88 3.2 12.8 1.0
CA A:SER7 3.6 12.9 1.0
O B:HOH370 3.6 25.8 1.0
N A:SER7 3.7 12.3 1.0
C A:TRP6 3.8 11.3 1.0
O A:TRP6 3.8 10.9 1.0
CE A:LYS88 3.8 13.2 1.0
CB A:TRP6 4.1 13.0 1.0
CB A:SER7 4.1 12.3 1.0
CD2 B:LEU94 4.1 16.9 1.0
CE B:LYS88 4.5 13.3 1.0
O A:PRO3 4.5 15.0 1.0
O A:HOH344 4.6 29.2 1.0
CD1 B:LEU94 4.6 24.8 1.0
CA A:TRP6 4.6 10.4 1.0
NZ B:LYS88 4.6 12.3 1.0
CG B:LEU94 4.8 19.4 1.0
C A:SER7 4.8 12.1 1.0
O B:HOH313 4.8 24.2 1.0
O A:HOH333 4.9 24.8 1.0

Chlorine binding site 2 out of 4 in 3ur9

Go back to Chlorine Binding Sites List in 3ur9
Chlorine binding site 2 out of 4 in the 1.65A Resolution Structure of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.65A Resolution Structure of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:25.1
occ:1.00
 NH2 A:ARG147 3.3 27.3 1.0
CG A:PRO78 3.6 22.9 1.0
CD A:PRO78 3.7 17.8 1.0
NE A:ARG147 3.8 34.5 1.0
NE2 A:HIS145 3.9 20.1 1.0
CZ A:ARG147 4.1 26.4 1.0
CD2 A:HIS145 4.7 15.0 1.0
CE1 A:HIS145 4.8 16.3 1.0
CB A:PRO78 4.8 22.6 1.0
O A:HOH312 5.0 20.4 1.0

Chlorine binding site 3 out of 4 in 3ur9

Go back to Chlorine Binding Sites List in 3ur9
Chlorine binding site 3 out of 4 in the 1.65A Resolution Structure of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.65A Resolution Structure of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:12.8
occ:1.00
 CL A:CL201 2.8 13.4 1.0
O A:HOH311 3.1 21.2 1.0
NZ B:LYS88 3.3 12.3 1.0
O B:HOH370 3.4 25.8 1.0
CA B:SER7 3.6 11.3 1.0
N B:SER7 3.7 11.6 1.0
CE B:LYS88 3.8 13.3 1.0
C B:TRP6 3.9 12.8 1.0
O B:TRP6 3.9 11.7 1.0
CB B:SER7 4.0 12.1 1.0
CB B:TRP6 4.1 13.4 1.0
CD2 A:LEU94 4.1 17.4 1.0
O B:PRO3 4.5 15.3 1.0
CD1 A:LEU94 4.5 26.8 1.0
CE A:LYS88 4.5 13.2 1.0
NZ A:LYS88 4.6 12.8 1.0
CA B:TRP6 4.6 12.7 1.0
CG A:LEU94 4.7 19.3 1.0
C B:SER7 4.8 11.1 1.0
O B:HOH301 4.9 19.8 1.0
O A:HOH336 4.9 23.8 1.0

Chlorine binding site 4 out of 4 in 3ur9

Go back to Chlorine Binding Sites List in 3ur9
Chlorine binding site 4 out of 4 in the 1.65A Resolution Structure of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.65A Resolution Structure of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:14.8
occ:1.00
 O B:HOH304 3.3 22.9 1.0
NE B:ARG8 3.3 18.4 1.0
CG2 B:THR4 3.3 16.1 0.5
NH2 B:ARG8 3.4 20.5 1.0
OG1 B:THR4 3.4 18.9 0.5
N B:LEU5 3.7 14.3 1.0
CB B:THR4 3.7 18.5 0.5
CZ B:ARG8 3.8 21.2 1.0
CA B:LEU5 3.9 13.9 1.0
C B:THR4 3.9 16.4 1.0
CB B:THR4 4.0 17.3 0.5
CB B:LEU5 4.2 18.0 1.0
O B:THR4 4.2 15.3 1.0
CD B:ARG8 4.5 16.1 1.0
CA B:THR4 4.5 16.3 0.5
CA B:THR4 4.6 16.1 0.5
CD1 B:LEU5 4.7 24.9 1.0
OG1 B:THR69 4.7 45.0 1.0
OG1 B:THR4 4.9 18.1 0.5

Reference:

Y.Kim, S.Lovell, K.C.Tiew, S.R.Mandadapu, K.R.Alliston, K.P.Battaile, W.C.Groutas, K.O.Chang. Broad-Spectrum Antivirals Against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses. J.Virol. V. 86 11754 2012.
ISSN: ISSN 0022-538X
PubMed: 22915796
DOI: 10.1128/JVI.01348-12
Page generated: Sun Jul 21 06:26:03 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy