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BMRB: 17251

3EA9

the N-terminal domain of SARS-CoV main protease

Authors

Zhang, S., Zhong, N., Ren, X., Jin, C., Xia, B.

Assembly

SARS-CoV main protease N-terminal domain

Entity

1. SARS-CoV main protease N-terminal domain (polymer, Thiol state: all free), 199 monomers, 21905.79 Da Detail

SGFRKMAFPS GKVEGCMVQV TCGTTTLNGL WLDDTVYCPR HVICTAEDML NPNYEDLLIR KSNHSFLVQA GNVQLRVIGH SMQNCLLRLK VDTSNPKTPK YKFVRIQPGQ TFSVLACYNG SPSGVYQCAM RPNHTIKGSF LNGSCGSVGF NIDYDCVSFC YMHHMELPTG VHAGTDLEGK FYGPFVDRQT AQAAGTDTT

Formula weight

21905.79 Da

Source organism

Severe acute respiratory syndrome-related coronavirus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.0 %, Completeness: 88.0 %, Completeness (bb): 93.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.0 % (1983 of 2253)	86.9 % (1010 of 1162)	87.6 % (772 of 881)	95.7 % (201 of 210)
Backbone	93.8 % (1101 of 1174)	92.4 % (376 of 407)	94.3 % (545 of 578)	95.2 % (180 of 189)
Sidechain	83.9 % (1056 of 1259)	84.0 % (634 of 755)	83.0 % (401 of 483)	100.0 % (21 of 21)
Aromatic	45.6 % (93 of 204)	56.9 % (58 of 102)	33.7 % (34 of 101)	100.0 % (1 of 1)
Methyl	96.5 % (191 of 198)	96.0 % (95 of 99)	97.0 % (96 of 99)

1. main protease N-terminal domain

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	main protease N-terminal domain	[U-13C; U-15N]	0.7 mM
2	potassium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM
4	Argine	natural abundance	30 mM
5	Glutamine acid	natural abundance	30 mM
6	EDTA	natural abundance	1 mM
7	DTT	natural abundance	10 mM
8	D2O	natural abundance	10 %
9	H2O	natural abundance	90 %
10	sodium azide	natural abundance	0.05 w/v
11	DSS	natural abundance	0.02 w/v

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.11 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.11 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.12 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.36 ppm, Outliers: 2 Detail

Release date

2011-01-17

Citation

1H, 13C and 15N resonance assignments of SARS-CoV main protease N-terminal domain
Zhang, S., Zhong, N., Ren, X., Jin, C., Xia, B.
Biomol. NMR Assign. (2011), 5, 143-145, PubMed 21181312 , DOI 10.1007/s12104-010-9287-9 , Abstract

Related entities 1. SARS-CoV main protease N-terminal domain, : 1 : 94 : 6 : 7 : 48 entities Detail

Interaction partners 1. SARS-CoV main protease N-terminal domain, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC