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Manganese in PDB 4wtf: Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Gs-639475, MN2+ and Symmetrical Primer Template 5'- Caaaauuu

Enzymatic activity of Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Gs-639475, MN2+ and Symmetrical Primer Template 5'- Caaaauuu

All present enzymatic activity of Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Gs-639475, MN2+ and Symmetrical Primer Template 5'- Caaaauuu:
2.7.7.48;

Protein crystallography data

The structure of Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Gs-639475, MN2+ and Symmetrical Primer Template 5'- Caaaauuu, PDB code: 4wtf was solved by T.E.Edwards, T.C.Appleby, M.E.Mcgrath, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.65
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 141.650, 141.650, 91.640, 90.00, 90.00, 120.00
R / Rfree (%) 18.7 / 23.4

Other elements in 4wtf:

The structure of Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Gs-639475, MN2+ and Symmetrical Primer Template 5'- Caaaauuu also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Gs-639475, MN2+ and Symmetrical Primer Template 5'- Caaaauuu (pdb code 4wtf). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Gs-639475, MN2+ and Symmetrical Primer Template 5'- Caaaauuu, PDB code: 4wtf:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in 4wtf

Go back to Manganese Binding Sites List in 4wtf
Manganese binding site 1 out of 3 in the Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Gs-639475, MN2+ and Symmetrical Primer Template 5'- Caaaauuu


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Gs-639475, MN2+ and Symmetrical Primer Template 5'- Caaaauuu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn601

b:49.7
occ:1.00
 OD2 A:ASP220 2.0 57.1 1.0
OD1 A:ASP319 2.1 51.9 1.0
O2A A:5GS605 2.1 51.6 1.0
O3' P:U6 2.1 69.9 1.0
OD1 A:ASP318 2.2 57.0 1.0
O A:HOH717 2.5 41.4 1.0
CG A:ASP319 2.9 54.6 1.0
CG A:ASP220 3.1 53.0 1.0
OD2 A:ASP319 3.1 60.6 1.0
PA A:5GS605 3.1 50.1 1.0
CG A:ASP318 3.2 51.1 1.0
MN A:MN602 3.3 49.5 1.0
OD2 A:ASP318 3.4 56.2 1.0
OD1 A:ASP220 3.4 51.1 1.0
C3' P:U6 3.5 81.9 1.0
O1A A:5GS605 3.6 60.0 1.0
O5' A:5GS605 3.7 56.4 1.0
C5' A:5GS605 4.0 55.8 1.0
C4' P:U6 4.2 82.7 1.0
CB A:ASP319 4.3 52.3 1.0
C5' P:U6 4.4 78.3 1.0
CB A:ASP220 4.4 49.6 1.0
C A:ASP318 4.4 46.3 1.0
O A:ASP318 4.5 50.2 1.0
CB A:ASP318 4.5 45.2 1.0
O3A A:5GS605 4.6 52.9 1.0
N A:ASP319 4.6 49.2 1.0
O2B A:5GS605 4.6 39.7 1.0
C2' P:U6 4.6 81.0 1.0
CA A:ASP319 4.7 49.0 1.0
O5' P:U6 4.7 73.4 1.0
O2' P:U6 4.8 79.2 1.0
CA A:ASP318 4.9 47.0 1.0
O A:HOH718 4.9 36.3 1.0

Manganese binding site 2 out of 3 in 4wtf

Go back to Manganese Binding Sites List in 4wtf
Manganese binding site 2 out of 3 in the Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Gs-639475, MN2+ and Symmetrical Primer Template 5'- Caaaauuu


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Gs-639475, MN2+ and Symmetrical Primer Template 5'- Caaaauuu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn602

b:49.5
occ:1.00
 OD2 A:ASP318 2.0 56.2 1.0
O2B A:5GS605 2.1 39.7 1.0
OD1 A:ASP220 2.1 51.1 1.0
O2A A:5GS605 2.2 51.6 1.0
O A:THR221 2.2 48.0 1.0
O A:HOH718 2.4 36.3 1.0
CG A:ASP220 3.0 53.0 1.0
CG A:ASP318 3.1 51.1 1.0
OD2 A:ASP220 3.3 57.1 1.0
C A:THR221 3.3 50.0 1.0
PB A:5GS605 3.3 54.8 1.0
MN A:MN601 3.3 49.7 1.0
PA A:5GS605 3.4 50.1 1.0
OD1 A:ASP318 3.5 57.0 1.0
N A:THR221 3.7 50.2 1.0
O3A A:5GS605 3.7 52.9 1.0
O A:HOH741 3.8 50.7 1.0
O1B A:5GS605 4.0 51.3 1.0
CA A:THR221 4.0 46.3 1.0
C5' A:5GS605 4.1 55.8 1.0
O5' A:5GS605 4.2 56.4 1.0
C A:ASP220 4.3 48.4 1.0
CB A:ASP220 4.3 49.6 1.0
N A:HIS223 4.4 51.7 1.0
N A:ARG222 4.4 54.1 1.0
N A:PHE224 4.4 47.0 1.0
CB A:ASP318 4.4 45.2 1.0
CB A:PHE224 4.5 45.7 1.0
O3B A:5GS605 4.6 55.6 1.0
CB A:THR221 4.6 46.1 1.0
O1A A:5GS605 4.6 60.0 1.0
CA A:ARG222 4.7 55.9 1.0
CA A:ASP220 4.7 47.5 1.0
C A:ARG222 4.8 55.0 1.0
O3' P:U6 4.9 69.9 1.0
O A:HOH717 4.9 41.4 1.0

Manganese binding site 3 out of 3 in 4wtf

Go back to Manganese Binding Sites List in 4wtf
Manganese binding site 3 out of 3 in the Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Gs-639475, MN2+ and Symmetrical Primer Template 5'- Caaaauuu


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Hcv NS5B Genotype 2A Jfh-1 Isolate with S15G E86Q E87Q C223H V321I Mutations and DELTA8 Beta Hairpin Loop Deletion in Complex with Gs-639475, MN2+ and Symmetrical Primer Template 5'- Caaaauuu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn603

b:0.4
occ:1.00
 OE2 A:GLU237 2.2 85.3 1.0
ND1 A:HIS254 2.3 58.3 1.0
CD A:GLU237 3.1 72.6 1.0
CG A:HIS254 3.2 61.8 1.0
CE1 A:HIS254 3.2 64.0 1.0
CB A:HIS254 3.4 59.7 1.0
OE1 A:GLU237 3.6 68.2 1.0
NE2 A:GLN241 4.1 46.2 1.0
CD2 A:HIS254 4.3 61.1 1.0
CA A:HIS254 4.3 52.8 1.0
NE2 A:HIS254 4.3 64.7 1.0
CG A:GLU237 4.3 64.0 1.0
CG A:GLN241 4.6 47.0 1.0
CD A:GLN241 4.8 50.1 1.0

Reference:

T.C.Appleby, J.Perry, E.Murakami, O.Barauskas, J.Feng, A.Cho, D.Fox Iii, D.R.Wetmore, M.E.Mcgrath, A.S.Ray, M.J.Sofia, S.Swaminathan, T.E.Edwards. Structural Basis For Rna Replication By the Hepatitis C Virus Polymerase To Be Published.
Page generated: Sat Oct 5 22:52:03 2024

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