Chlorine in PDB 7m1v: Structure of Zika Virus NS2B-NS3 Protease Mutant Binding the Compound NSC86314 in the Super-Open Conformation

Enzymatic activity of Structure of Zika Virus NS2B-NS3 Protease Mutant Binding the Compound NSC86314 in the Super-Open Conformation

All present enzymatic activity of Structure of Zika Virus NS2B-NS3 Protease Mutant Binding the Compound NSC86314 in the Super-Open Conformation:
3.4.21.91; 3.6.1.15; 3.6.4.13;

Protein crystallography data

The structure of Structure of Zika Virus NS2B-NS3 Protease Mutant Binding the Compound NSC86314 in the Super-Open Conformation, PDB code: 7m1v was solved by A.E.Aleshin, S.A.Shiryaev, R.C.Liddington, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.68 / 1.60
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 40.81, 42.637, 46.296, 98.88, 92.11, 90.41
R / Rfree (%) 16 / 18.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Zika Virus NS2B-NS3 Protease Mutant Binding the Compound NSC86314 in the Super-Open Conformation (pdb code 7m1v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Zika Virus NS2B-NS3 Protease Mutant Binding the Compound NSC86314 in the Super-Open Conformation, PDB code: 7m1v:

Chlorine binding site 1 out of 1 in 7m1v

Go back to Chlorine Binding Sites List in 7m1v
Chlorine binding site 1 out of 1 in the Structure of Zika Virus NS2B-NS3 Protease Mutant Binding the Compound NSC86314 in the Super-Open Conformation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Zika Virus NS2B-NS3 Protease Mutant Binding the Compound NSC86314 in the Super-Open Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1203

b:19.2
occ:1.00
 O A:HOH1343 3.0 27.0 1.0
N A:GLY1151 3.3 17.3 1.0
N A:VAL1126 3.4 17.8 1.0
N A:GLY1153 3.4 17.0 1.0
CA A:GLY1153 3.7 19.8 1.0
CA A:ALA1125 3.9 16.8 1.0
CA A:GLY1151 4.0 18.0 1.0
N A:ASN1152 4.1 15.9 1.0
CB A:VAL1126 4.1 23.1 1.0
CA A:TYR1150 4.1 14.2 1.0
C A:ALA1125 4.1 18.3 1.0
O A:LEU1149 4.2 15.0 1.0
CD1 A:ILE1139 4.2 19.5 1.0
C A:TYR1150 4.2 15.3 1.0
C A:GLY1151 4.3 20.8 1.0
CB A:ALA1125 4.3 19.7 1.0
CG2 A:VAL1126 4.3 24.9 1.0
C A:GLY1153 4.3 19.6 1.0
CA A:VAL1126 4.3 19.5 1.0
CD1 A:TYR1150 4.5 15.8 1.0
O A:VAL1126 4.6 22.1 1.0
C A:ASN1152 4.6 16.6 1.0
O A:GLY1153 4.8 17.9 1.0
CG1 B:VAL1072 4.8 24.8 1.0
O A:GLY1124 4.8 18.2 1.0
N A:VAL1154 4.9 17.6 1.0
C A:LEU1149 4.9 15.2 1.0
O B:HOH1425 5.0 22.3 1.0
N A:TYR1150 5.0 14.9 1.0
C A:VAL1126 5.0 19.7 1.0
CA A:ASN1152 5.0 16.2 1.0

Reference:

A.E.Aleshin, S.A.Shiryaev, R.C.Liddington. To Be Provided To Be Published.
Page generated: Sat Jul 10 12:52:53 2021

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