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Bromine in PDB 3hvo: Structure of the Genotype 2B Hcv Polymerase Bound to A Nni

Enzymatic activity of Structure of the Genotype 2B Hcv Polymerase Bound to A Nni

All present enzymatic activity of Structure of the Genotype 2B Hcv Polymerase Bound to A Nni:
2.7.7.48;

Protein crystallography data

The structure of Structure of the Genotype 2B Hcv Polymerase Bound to A Nni, PDB code: 3hvo was solved by E.H.Rydberg, A.Carfi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.84 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 153.293, 64.648, 135.714, 90.00, 89.73, 90.00
R / Rfree (%) 18.2 / 21.8

Bromine Binding Sites:

The binding sites of Bromine atom in the Structure of the Genotype 2B Hcv Polymerase Bound to A Nni (pdb code 3hvo). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structure of the Genotype 2B Hcv Polymerase Bound to A Nni, PDB code: 3hvo:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 3hvo

Go back to Bromine Binding Sites List in 3hvo
Bromine binding site 1 out of 2 in the Structure of the Genotype 2B Hcv Polymerase Bound to A Nni


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of the Genotype 2B Hcv Polymerase Bound to A Nni within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br564

b:39.5
occ:1.00
BR1 A:VGI564 0.0 39.5 1.0
C15 A:VGI564 1.9 39.2 1.0
C14 A:VGI564 2.9 37.8 1.0
C16 A:VGI564 2.9 40.2 1.0
NH1 A:ARG422 3.2 19.2 1.0
CZ A:ARG422 3.4 17.8 1.0
NE A:ARG422 3.7 17.0 1.0
CG A:TRP528 3.7 20.0 1.0
CB A:ARG422 3.8 15.9 1.0
CG A:MET423 3.8 17.2 1.0
CB A:TRP528 3.9 20.5 1.0
CD A:ARG422 3.9 17.1 1.0
CD2 A:TRP528 3.9 20.9 1.0
NH2 A:ARG422 4.0 16.7 1.0
CD1 A:TRP528 4.1 19.9 1.0
C13 A:VGI564 4.2 40.8 1.0
C17 A:VGI564 4.2 41.1 1.0
CG1 A:ILE419 4.3 16.0 1.0
CE3 A:TRP528 4.4 19.2 1.0
OH A:TYR477 4.4 16.0 1.0
CE2 A:TRP528 4.5 19.2 1.0
CG A:ARG422 4.5 16.4 1.0
CE1 A:TYR477 4.5 17.3 1.0
CA A:ILE419 4.5 14.5 1.0
SD A:MET423 4.5 19.4 1.0
NE1 A:TRP528 4.6 19.8 1.0
C18 A:VGI564 4.7 38.5 1.0
O A:LEU474 4.7 14.3 1.0
O A:ILE419 4.8 14.2 1.0
CB A:ILE419 4.9 14.7 1.0
CZ A:TYR477 4.9 15.5 1.0
N A:MET423 5.0 15.3 1.0

Bromine binding site 2 out of 2 in 3hvo

Go back to Bromine Binding Sites List in 3hvo
Bromine binding site 2 out of 2 in the Structure of the Genotype 2B Hcv Polymerase Bound to A Nni


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of the Genotype 2B Hcv Polymerase Bound to A Nni within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br564

b:43.0
occ:1.00
BR1 B:VGI564 0.0 43.0 1.0
C15 B:VGI564 1.9 41.4 1.0
C14 B:VGI564 2.9 39.0 1.0
C16 B:VGI564 2.9 41.1 1.0
NH1 B:ARG422 3.2 17.9 1.0
CZ B:ARG422 3.4 18.4 1.0
NE B:ARG422 3.7 16.9 1.0
CG B:MET423 3.8 17.5 1.0
CG B:TRP528 3.8 23.4 1.0
CB B:ARG422 3.9 17.4 1.0
CD B:ARG422 3.9 17.2 1.0
CB B:TRP528 4.0 24.2 1.0
CD2 B:TRP528 4.0 22.8 1.0
NH2 B:ARG422 4.1 19.2 1.0
CG1 B:ILE419 4.2 15.2 1.0
C13 B:VGI564 4.2 41.1 1.0
C17 B:VGI564 4.2 36.8 1.0
CD1 B:TRP528 4.2 22.7 1.0
OH B:TYR477 4.3 18.8 1.0
CE1 B:TYR477 4.4 19.1 1.0
SD B:MET423 4.4 22.1 1.0
CE3 B:TRP528 4.4 22.5 1.0
CA B:ILE419 4.5 15.4 1.0
CG B:ARG422 4.5 17.6 1.0
CE2 B:TRP528 4.6 22.3 1.0
O B:LEU474 4.7 19.4 1.0
NE1 B:TRP528 4.7 22.4 1.0
C18 B:VGI564 4.7 38.5 1.0
O B:ILE419 4.8 15.8 1.0
CB B:ILE419 4.8 15.1 1.0
CZ B:TYR477 4.8 18.2 1.0
N B:MET423 4.9 17.4 1.0
CD1 B:ILE419 4.9 15.1 1.0
O B:HOH574 5.0 20.8 1.0

Reference:

J.M.Ontoria, E.H.Rydberg, S.Di-Marco, L.Tomei, B.Antenni, S.Melancona, J.I.Martin-Hernando, N.Gennari, U.Koch, F.Narjes, M.Rowley, V.Summa, S.S.Carroll, D.B.Olsen, R.De-Francesco, S.Altamura, G.Migliaccio, A.Carfi. Identification and Biological Evaluation of A Series of 1H-Benzo[De]Isoquinoline-1,3(2H)-Diones As Hepatitis C Virus NS5B Polymerase Inhibitors To Be Published.
Page generated: Mon Jul 7 05:25:08 2025

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