BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 26702

Title: Partial assignments of full-length (deltaAH)-NS5A protein from Hepatitis C Virus (Con1) produced in wheat germ cell-free system   PubMed: 28535337

Deposition date: 2015-11-05 Original release date: 2017-06-19

Authors: Hanoulle, Xavier; Sarrazin, Stephane; Fogeron, Marie-Laure; Badillo, Aurelie; Cantrelle, Francois-Xavier; Penin, Francois

Citation: Badillo, Aurelie; Receveur-Brechot, Veronique; Sarrazin, Stephane; Cantrelle, Francois-Xavier; Delolme, Frederic; Fogeron, Marie-Laure; Molle, Jennifer; Montserret, Roland; Bockmann, Anja; Bartenschlager, Ralf; Lohmann, Volker; Lippens, Guy; Ricard-Blum, Sylvie; Hanoulle, Xavier; Penin, Francois. "Overall Structural Model of NS5A Protein from Hepatitis C Virus and Modulation by Mutations Confering Resistance of Virus Replication to Cyclosporin A"  Biochemistry 56, 3029-3048 (2017).

Assembly members:
NS5A-D1D2D3, polymer, 430 residues, Formula weight is not available
NS5A-D1D2D3, polymer, 430 residues, Formula weight is not available
NS5A-D1D2D3, polymer, 430 residues, Formula weight is not available
NS5A-D1D2D3, polymer, 430 residues, Formula weight is not available

Natural source:   Common Name: Hepatitis C Virus   Taxonomy ID: 11103   Superkingdom: Viruses   Kingdom: not available   Genus/species: Hepacivirus Hepatitis C Virus

Experimental source:   Production method: cell free synthesis   Host organism: wheat germ - cell free

Entity Sequences (FASTA):
NS5A-D1D2D3: MARLPGVPFFSCQRGYKGVW RGDGIMQTTCPCGAQITGHV KNGSMRIVGPRTCSNTWHGT FPINAYTTGPCTPSPAPNYS RALWRVAAEEYVEVTRVGDF HYVTGMTTDNVKCPCQVPAP EFFTEVDGVRLHRYAPACKP LLREEVTFLVGLNQYLVGSQ LPCEPEPDVAVLTSMLTDPS HITAETAKRRLARGSPPSLA SSSASQLSAPSLKATCTTRH DSPDADLIEANLLWRQEMGG NITRVESENKVVILDSFEPL QAEEDEREVSVPAEILRRSR KFPRAMPIWARPDYNPPLLE SWKDPDYVPPVVHGCPLPPA KAPPIPPPRRKRTVVLSEST VSSALAELATKTFGSSESSA VDSGTATASPDQPSDDGDAG XDVEXYSXMPPLEGEPGDPD LXDGXWXXVXEEASEDVVCC SAWSHPQFEK
NS5A-D1D2D3: MARLPGVPFFSCQRGYKGVW RGDGIMQTTCPCGAQITGHV KNGSMRIVGPRTCSNTWHGT FPINAYTTGPCTPSPAPNYS RALWRVAAEEYVEVTRVGDF HYVTGMTTDNVKCPCQVPAP EFFTEVDGVRLHRYAPACKP LLREEVTFLVGLNQYLVGSQ LPCEPEPDVAVLTSMLTDPS HITAETAKRRLARGSPPSLA SSSASQLSAPSLKATCTTRH DSPDADLIEANLLWRQEMGG NITRVESENKVVILDSFEPL QAEEDEREVSVPAEILRRSR KFPRAMPIWARPDYNPPLLE SWKDPDYVPPVVHGCPLPPA KAPPIPPPRRKRTVVLSEST VSSALAELATKTFGSSESSA VDSGTATASPDQPXDDGDAG XDVESYSSMPPLEGEPGDPD LXDGXWXXVXEEASEDVVCC SAWSHPQFEK
NS5A-D1D2D3: MARLPGVPFFSCQRGYKGVW RGDGIMQTTCPCGAQITGHV KNGSMRIVGPRTCSNTWHGT FPINAYTTGPCTPSPAPNYS RALWRVAAEEYVEVTRVGDF HYVTGMTTDNVKCPCQVPAP EFFTEVDGVRLHRYAPACKP LLREEVTFLVGLNQYLVGSQ LPCEPEPDVAVLTSMLTDPS HITAETAKRRLARGSPPSLA SSSASQLSAPSLKATCTTRH DSPDADLIEANLLWRQEMGG NITRVESENKVVILDSFEPL QAEEDEREVSVPAEILRRSR KFPRAMPIWARPDYNPPLLE SWKDPDYVPPVVHGCPLPPA KAPPIPPPRRKRTVVLSEST VSSALAELATKTFGSSESSA VDSGTATASPDQPSDDGDAG XDVEXYSXMPPLEGEPGDPD LSDGSWSTVSEEASEDVVCC SAWSHPQFEK
NS5A-D1D2D3: MARLPGVPFFSCQRGYKGVW RGDGIMQTTCPCGAQITGHV KNGSMRIVGPRTCSNTWHGT FPINAYTTGPCTPSPAPNYS RALWRVAAEEYVEVTRVGDF HYVTGMTTDNVKCPCQVPAP EFFTEVDGVRLHRYAPACKP LLREEVTFLVGLNQYLVGSQ LPCEPEPDVAVLTSMLTDPS HITAETAKRRLARGSPPSLA SSSASQLSAPSLKATCTTRH DSPDADLIEANLLWRQEMGG NITRVESENKVVILDSFEPL QAEEDEREVSVPAEILRRSR KFPRAMPIWARPDYNPPLLE SWKDPDYVPPVVHGCPLPPA KAPPIPPPRRKRTVVLSEST VSSALAELATKTFGSSESSA VDSGTATASPDQPSDDGDAG XDVEXYSXMPPLEGEPGDPD LSDGXWXXVXEEASEDVVCC SAWSHPQFEK

Data typeCount
13C chemical shifts469
15N chemical shifts147
1H chemical shifts147

Additional metadata:

  • Assembly
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Assembly:

Entity Assembly IDEntity NameEntity ID
1NS5A-D1D2D3, Major conformer1
2NS5A-D1D2D3, Minor conformer12
3NS5A-D1D2D3, Minor conformer23
4NS5A-D1D2D3, Minor conformer34

Entities:

Entity 1, NS5A-D1D2D3, Major conformer 430 residues - Formula weight is not available

Residues 3 to 420 correspond to residues 30 to 447 of NS5A protein from HCV Con1 strain. Residues 421-430 represent a non-native affinity tag.

1   METALAARGLEUPROGLYVALPROPHEPHE
2   SERCYSGLNARGGLYTYRLYSGLYVALTRP
3   ARGGLYASPGLYILEMETGLNTHRTHRCYS
4   PROCYSGLYALAGLNILETHRGLYHISVAL
5   LYSASNGLYSERMETARGILEVALGLYPRO
6   ARGTHRCYSSERASNTHRTRPHISGLYTHR
7   PHEPROILEASNALATYRTHRTHRGLYPRO
8   CYSTHRPROSERPROALAPROASNTYRSER
9   ARGALALEUTRPARGVALALAALAGLUGLU
10   TYRVALGLUVALTHRARGVALGLYASPPHE
11   HISTYRVALTHRGLYMETTHRTHRASPASN
12   VALLYSCYSPROCYSGLNVALPROALAPRO
13   GLUPHEPHETHRGLUVALASPGLYVALARG
14   LEUHISARGTYRALAPROALACYSLYSPRO
15   LEULEUARGGLUGLUVALTHRPHELEUVAL
16   GLYLEUASNGLNTYRLEUVALGLYSERGLN
17   LEUPROCYSGLUPROGLUPROASPVALALA
18   VALLEUTHRSERMETLEUTHRASPPROSER
19   HISILETHRALAGLUTHRALALYSARGARG
20   LEUALAARGGLYSERPROPROSERLEUALA
21   SERSERSERALASERGLNLEUSERALAPRO
22   SERLEULYSALATHRCYSTHRTHRARGHIS
23   ASPSERPROASPALAASPLEUILEGLUALA
24   ASNLEULEUTRPARGGLNGLUMETGLYGLY
25   ASNILETHRARGVALGLUSERGLUASNLYS
26   VALVALILELEUASPSERPHEGLUPROLEU
27   GLNALAGLUGLUASPGLUARGGLUVALSER
28   VALPROALAGLUILELEUARGARGSERARG
29   LYSPHEPROARGALAMETPROILETRPALA
30   ARGPROASPTYRASNPROPROLEULEUGLU
31   SERTRPLYSASPPROASPTYRVALPROPRO
32   VALVALHISGLYCYSPROLEUPROPROALA
33   LYSALAPROPROILEPROPROPROARGARG
34   LYSARGTHRVALVALLEUSERGLUSERTHR
35   VALSERSERALALEUALAGLULEUALATHR
36   LYSTHRPHEGLYSERSERGLUSERSERALA
37   VALASPSERGLYTHRALATHRALASERPRO
38   ASPGLNPROSERASPASPGLYASPALAGLY
39   SEPASPVALGLUSEPTYRSERSEPMETPRO
40   PROLEUGLUGLYGLUPROGLYASPPROASP
41   LEUSEPASPGLYSEPTRPSEPTPOVALSEP
42   GLUGLUALASERGLUASPVALVALCYSCYS
43   SERALATRPSERHISPROGLNPHEGLULYS

Entity 2, NS5A-D1D2D3, Minor conformer1 430 residues - Formula weight is not available

Residues 3 to 420 correspond to residues 30 to 447 of NS5A protein from HCV Con1 strain. Residues 421-430 represent a non-native affinity tag.

1   METALAARGLEUPROGLYVALPROPHEPHE
2   SERCYSGLNARGGLYTYRLYSGLYVALTRP
3   ARGGLYASPGLYILEMETGLNTHRTHRCYS
4   PROCYSGLYALAGLNILETHRGLYHISVAL
5   LYSASNGLYSERMETARGILEVALGLYPRO
6   ARGTHRCYSSERASNTHRTRPHISGLYTHR
7   PHEPROILEASNALATYRTHRTHRGLYPRO
8   CYSTHRPROSERPROALAPROASNTYRSER
9   ARGALALEUTRPARGVALALAALAGLUGLU
10   TYRVALGLUVALTHRARGVALGLYASPPHE
11   HISTYRVALTHRGLYMETTHRTHRASPASN
12   VALLYSCYSPROCYSGLNVALPROALAPRO
13   GLUPHEPHETHRGLUVALASPGLYVALARG
14   LEUHISARGTYRALAPROALACYSLYSPRO
15   LEULEUARGGLUGLUVALTHRPHELEUVAL
16   GLYLEUASNGLNTYRLEUVALGLYSERGLN
17   LEUPROCYSGLUPROGLUPROASPVALALA
18   VALLEUTHRSERMETLEUTHRASPPROSER
19   HISILETHRALAGLUTHRALALYSARGARG
20   LEUALAARGGLYSERPROPROSERLEUALA
21   SERSERSERALASERGLNLEUSERALAPRO
22   SERLEULYSALATHRCYSTHRTHRARGHIS
23   ASPSERPROASPALAASPLEUILEGLUALA
24   ASNLEULEUTRPARGGLNGLUMETGLYGLY
25   ASNILETHRARGVALGLUSERGLUASNLYS
26   VALVALILELEUASPSERPHEGLUPROLEU
27   GLNALAGLUGLUASPGLUARGGLUVALSER
28   VALPROALAGLUILELEUARGARGSERARG
29   LYSPHEPROARGALAMETPROILETRPALA
30   ARGPROASPTYRASNPROPROLEULEUGLU
31   SERTRPLYSASPPROASPTYRVALPROPRO
32   VALVALHISGLYCYSPROLEUPROPROALA
33   LYSALAPROPROILEPROPROPROARGARG
34   LYSARGTHRVALVALLEUSERGLUSERTHR
35   VALSERSERALALEUALAGLULEUALATHR
36   LYSTHRPHEGLYSERSERGLUSERSERALA
37   VALASPSERGLYTHRALATHRALASERPRO
38   ASPGLNPROSEPASPASPGLYASPALAGLY
39   SEPASPVALGLUSERTYRSERSERMETPRO
40   PROLEUGLUGLYGLUPROGLYASPPROASP
41   LEUSEPASPGLYSEPTRPSEPTPOVALSEP
42   GLUGLUALASERGLUASPVALVALCYSCYS
43   SERALATRPSERHISPROGLNPHEGLULYS

Entity 3, NS5A-D1D2D3, Minor conformer2 430 residues - Formula weight is not available

Residues 3 to 420 correspond to residues 30 to 447 of NS5A protein from HCV Con1 strain. Residues 421-430 represent a non-native affinity tag.

1   METALAARGLEUPROGLYVALPROPHEPHE
2   SERCYSGLNARGGLYTYRLYSGLYVALTRP
3   ARGGLYASPGLYILEMETGLNTHRTHRCYS
4   PROCYSGLYALAGLNILETHRGLYHISVAL
5   LYSASNGLYSERMETARGILEVALGLYPRO
6   ARGTHRCYSSERASNTHRTRPHISGLYTHR
7   PHEPROILEASNALATYRTHRTHRGLYPRO
8   CYSTHRPROSERPROALAPROASNTYRSER
9   ARGALALEUTRPARGVALALAALAGLUGLU
10   TYRVALGLUVALTHRARGVALGLYASPPHE
11   HISTYRVALTHRGLYMETTHRTHRASPASN
12   VALLYSCYSPROCYSGLNVALPROALAPRO
13   GLUPHEPHETHRGLUVALASPGLYVALARG
14   LEUHISARGTYRALAPROALACYSLYSPRO
15   LEULEUARGGLUGLUVALTHRPHELEUVAL
16   GLYLEUASNGLNTYRLEUVALGLYSERGLN
17   LEUPROCYSGLUPROGLUPROASPVALALA
18   VALLEUTHRSERMETLEUTHRASPPROSER
19   HISILETHRALAGLUTHRALALYSARGARG
20   LEUALAARGGLYSERPROPROSERLEUALA
21   SERSERSERALASERGLNLEUSERALAPRO
22   SERLEULYSALATHRCYSTHRTHRARGHIS
23   ASPSERPROASPALAASPLEUILEGLUALA
24   ASNLEULEUTRPARGGLNGLUMETGLYGLY
25   ASNILETHRARGVALGLUSERGLUASNLYS
26   VALVALILELEUASPSERPHEGLUPROLEU
27   GLNALAGLUGLUASPGLUARGGLUVALSER
28   VALPROALAGLUILELEUARGARGSERARG
29   LYSPHEPROARGALAMETPROILETRPALA
30   ARGPROASPTYRASNPROPROLEULEUGLU
31   SERTRPLYSASPPROASPTYRVALPROPRO
32   VALVALHISGLYCYSPROLEUPROPROALA
33   LYSALAPROPROILEPROPROPROARGARG
34   LYSARGTHRVALVALLEUSERGLUSERTHR
35   VALSERSERALALEUALAGLULEUALATHR
36   LYSTHRPHEGLYSERSERGLUSERSERALA
37   VALASPSERGLYTHRALATHRALASERPRO
38   ASPGLNPROSERASPASPGLYASPALAGLY
39   SEPASPVALGLUSEPTYRSERSEPMETPRO
40   PROLEUGLUGLYGLUPROGLYASPPROASP
41   LEUSERASPGLYSERTRPSERTHRVALSER
42   GLUGLUALASERGLUASPVALVALCYSCYS
43   SERALATRPSERHISPROGLNPHEGLULYS

Entity 4, NS5A-D1D2D3, Minor conformer3 430 residues - Formula weight is not available

Residues 3 to 420 correspond to residues 30 to 447 of NS5A protein from HCV Con1 strain. Residues 421-430 represent a non-native affinity tag.

1   METALAARGLEUPROGLYVALPROPHEPHE
2   SERCYSGLNARGGLYTYRLYSGLYVALTRP
3   ARGGLYASPGLYILEMETGLNTHRTHRCYS
4   PROCYSGLYALAGLNILETHRGLYHISVAL
5   LYSASNGLYSERMETARGILEVALGLYPRO
6   ARGTHRCYSSERASNTHRTRPHISGLYTHR
7   PHEPROILEASNALATYRTHRTHRGLYPRO
8   CYSTHRPROSERPROALAPROASNTYRSER
9   ARGALALEUTRPARGVALALAALAGLUGLU
10   TYRVALGLUVALTHRARGVALGLYASPPHE
11   HISTYRVALTHRGLYMETTHRTHRASPASN
12   VALLYSCYSPROCYSGLNVALPROALAPRO
13   GLUPHEPHETHRGLUVALASPGLYVALARG
14   LEUHISARGTYRALAPROALACYSLYSPRO
15   LEULEUARGGLUGLUVALTHRPHELEUVAL
16   GLYLEUASNGLNTYRLEUVALGLYSERGLN
17   LEUPROCYSGLUPROGLUPROASPVALALA
18   VALLEUTHRSERMETLEUTHRASPPROSER
19   HISILETHRALAGLUTHRALALYSARGARG
20   LEUALAARGGLYSERPROPROSERLEUALA
21   SERSERSERALASERGLNLEUSERALAPRO
22   SERLEULYSALATHRCYSTHRTHRARGHIS
23   ASPSERPROASPALAASPLEUILEGLUALA
24   ASNLEULEUTRPARGGLNGLUMETGLYGLY
25   ASNILETHRARGVALGLUSERGLUASNLYS
26   VALVALILELEUASPSERPHEGLUPROLEU
27   GLNALAGLUGLUASPGLUARGGLUVALSER
28   VALPROALAGLUILELEUARGARGSERARG
29   LYSPHEPROARGALAMETPROILETRPALA
30   ARGPROASPTYRASNPROPROLEULEUGLU
31   SERTRPLYSASPPROASPTYRVALPROPRO
32   VALVALHISGLYCYSPROLEUPROPROALA
33   LYSALAPROPROILEPROPROPROARGARG
34   LYSARGTHRVALVALLEUSERGLUSERTHR
35   VALSERSERALALEUALAGLULEUALATHR
36   LYSTHRPHEGLYSERSERGLUSERSERALA
37   VALASPSERGLYTHRALATHRALASERPRO
38   ASPGLNPROSERASPASPGLYASPALAGLY
39   SEPASPVALGLUSEPTYRSERSEPMETPRO
40   PROLEUGLUGLYGLUPROGLYASPPROASP
41   LEUSERASPGLYSEPTRPSEPTPOVALSEP
42   GLUGLUALASERGLUASPVALVALCYSCYS
43   SERALATRPSERHISPROGLNPHEGLULYS

Samples:

sample_1: NS5A-D1D2D3, [U-100% 13C; U-100% 15N], 120 uM; sodium phosphate 50 mM; sodium chloride 100 mM; THP 1 mM; EDTA 0.5 mM

sample_conditions_1: ionic strength: 0.100 M; pH: 6.7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HN(CA)NNHsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.1, Bruker Biospin - collection, processing

In_house_product_plane_algorithm, Dries Verdegem - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 900 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts