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Manganese in PDB 4wte: 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 Gdp, MN2+ and Symmetrical Primer Template 5'-Acaaauuu

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 Gdp, MN2+ and Symmetrical Primer Template 5'-Acaaauuu

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 Gdp, MN2+ and Symmetrical Primer Template 5'-Acaaauuu:
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 Gdp, MN2+ and Symmetrical Primer Template 5'-Acaaauuu, PDB code: 4wte was solved by T.E.Edwards, T.C.Appleby, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.90
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 141.640, 141.640, 91.540, 90.00, 90.00, 120.00
R / Rfree (%) 18.1 / 21.9

Other elements in 4wte:

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 Gdp, MN2+ and Symmetrical Primer Template 5'-Acaaauuu 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 Gdp, MN2+ and Symmetrical Primer Template 5'-Acaaauuu (pdb code 4wte). 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 Gdp, MN2+ and Symmetrical Primer Template 5'-Acaaauuu, PDB code: 4wte:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in 4wte

Go back to Manganese Binding Sites List in 4wte
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 Gdp, MN2+ and Symmetrical Primer Template 5'-Acaaauuu


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 Gdp, MN2+ and Symmetrical Primer Template 5'-Acaaauuu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn601

b:65.3
occ:1.00
OD1 A:ASP319 1.9 64.2 1.0
O1A A:GDP605 2.1 65.8 1.0
O3' P:U8 2.2 87.4 1.0
OD1 A:ASP220 2.2 58.9 1.0
OD1 A:ASP318 2.3 65.7 1.0
O A:HOH715 2.3 57.2 1.0
CG A:ASP319 3.0 66.5 1.0
PA A:GDP605 3.1 63.0 1.0
CG A:ASP318 3.3 53.4 1.0
MN A:MN602 3.3 57.0 1.0
CG A:ASP220 3.4 62.3 1.0
C3' P:U8 3.4 84.8 1.0
OD2 A:ASP319 3.5 66.7 1.0
O2A A:GDP605 3.5 69.7 1.0
O5' A:GDP605 3.5 70.4 1.0
OD2 A:ASP318 3.5 54.1 1.0
OD2 A:ASP220 3.9 60.8 1.0
C5' A:GDP605 3.9 67.9 1.0
C4' P:U8 4.1 85.1 1.0
C5' P:U8 4.3 80.0 1.0
CB A:ASP319 4.3 61.7 1.0
C A:ASP318 4.5 51.7 1.0
O5' P:U8 4.5 76.8 1.0
O A:ASP318 4.5 56.4 1.0
O3A A:GDP605 4.6 58.1 1.0
C2' P:U8 4.6 82.3 1.0
CB A:ASP318 4.6 49.1 1.0
O1B A:GDP605 4.6 47.8 1.0
N A:ASP319 4.6 52.0 1.0
CB A:ASP220 4.6 56.2 1.0
CA A:ASP319 4.8 54.9 1.0
O2' P:U8 4.8 77.7 1.0
CA A:ASP318 4.9 49.0 1.0

Manganese binding site 2 out of 3 in 4wte

Go back to Manganese Binding Sites List in 4wte
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 Gdp, MN2+ and Symmetrical Primer Template 5'-Acaaauuu


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 Gdp, MN2+ and Symmetrical Primer Template 5'-Acaaauuu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn602

b:57.0
occ:1.00
O1B A:GDP605 2.1 47.8 1.0
O1A A:GDP605 2.1 65.8 1.0
OD2 A:ASP318 2.2 54.1 1.0
O A:THR221 2.2 61.4 1.0
OD2 A:ASP220 2.4 60.8 1.0
O A:HOH716 2.6 46.1 1.0
CG A:ASP220 3.0 62.3 1.0
OD1 A:ASP220 3.0 58.9 1.0
CG A:ASP318 3.2 53.4 1.0
PB A:GDP605 3.3 60.5 1.0
MN A:MN601 3.3 65.3 1.0
PA A:GDP605 3.4 63.0 1.0
C A:THR221 3.4 58.8 1.0
OD1 A:ASP318 3.5 65.7 1.0
O3A A:GDP605 3.7 58.1 1.0
N A:THR221 3.7 58.3 1.0
C5' A:GDP605 4.0 67.9 1.0
O2B A:GDP605 4.0 54.1 1.0
CA A:THR221 4.1 58.8 1.0
O5' A:GDP605 4.2 70.4 1.0
CB A:ASP220 4.4 56.2 1.0
N A:ARG222 4.5 59.5 1.0
N A:PHE224 4.5 56.5 1.0
N A:HIS223 4.5 63.7 1.0
CB A:ASP318 4.5 49.1 1.0
C A:ASP220 4.5 55.6 1.0
CB A:PHE224 4.5 56.9 1.0
O3B A:GDP605 4.6 61.3 1.0
O2A A:GDP605 4.6 69.7 1.0
CB A:THR221 4.7 58.3 1.0
CA A:ARG222 4.7 66.3 1.0
CA A:ASP220 4.8 51.6 1.0
O A:HOH715 4.9 57.2 1.0
OD1 A:ASP319 4.9 64.2 1.0
C A:ARG222 4.9 69.5 1.0
O3' P:U8 5.0 87.4 1.0

Manganese binding site 3 out of 3 in 4wte

Go back to Manganese Binding Sites List in 4wte
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 Gdp, MN2+ and Symmetrical Primer Template 5'-Acaaauuu


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 Gdp, MN2+ and Symmetrical Primer Template 5'-Acaaauuu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn603

b:0.8
occ:1.00
OE2 A:GLU237 2.0 87.1 1.0
ND1 A:HIS254 2.4 70.9 1.0
CG A:HIS254 3.0 69.7 1.0
CD A:GLU237 3.1 74.6 1.0
CE1 A:HIS254 3.2 75.3 1.0
CB A:HIS254 3.2 64.2 1.0
OE1 A:GLU237 3.6 66.3 1.0
CD2 A:HIS254 3.9 72.7 1.0
NE2 A:HIS254 4.1 75.1 1.0
NE2 A:GLN241 4.1 51.2 1.0
CA A:HIS254 4.2 55.6 1.0
CG A:GLU237 4.3 68.2 1.0
CG A:GLN241 4.6 56.3 1.0
CD A:GLN241 4.7 57.0 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 22:51:57 2024

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