BMRB Entry 17911

Name: C-terminal domain of SARS-CoV main protease
Published: 2012-09-04

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PDB ID: 2liz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17911
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

C-terminal domain of SARS-CoV main protease

Deposition date:

2011-09-02

Original release date:

2012-09-04

Authors:

Xia, Bin; Kang, Xue

Citation:

Citation: Xia, Bin. "NMR solution structure of C-terminal domain of SARS-CoV main protease in 2.5M urea" .

Assembly members:

Assembly members:
Mpro-C, polymer, 120 residues, Formula weight is not available

Natural source:

Natural source: Common Name: SARS coronavirus Taxonomy ID: 227859 Superkingdom: Viruses Kingdom: not available Genus/species: SARS coronavirus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Mpro-C: DRQTAQAAGTDTTITLNVLA WLYAAVINGDRWFLNRFTTT LNDFNLVAMKYNYEPLTQDH VDILGPLSAQTGIAVLDMCA ALKELLQNGMNGRTILGSTI LEDEFTPFDVVRQCSGVTFQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	360
15N chemical shifts	130
1H chemical shifts	795

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Mpro-C	1

Entities:

Entity 1, Mpro-C 120 residues - Formula weight is not available

1	ASP	ARG	GLN	THR	ALA	GLN	ALA	ALA	GLY	THR
2	ASP	THR	THR	ILE	THR	LEU	ASN	VAL	LEU	ALA
3	TRP	LEU	TYR	ALA	ALA	VAL	ILE	ASN	GLY	ASP
4	ARG	TRP	PHE	LEU	ASN	ARG	PHE	THR	THR	THR
5	LEU	ASN	ASP	PHE	ASN	LEU	VAL	ALA	MET	LYS
6	TYR	ASN	TYR	GLU	PRO	LEU	THR	GLN	ASP	HIS
7	VAL	ASP	ILE	LEU	GLY	PRO	LEU	SER	ALA	GLN
8	THR	GLY	ILE	ALA	VAL	LEU	ASP	MET	CYS	ALA
9	ALA	LEU	LYS	GLU	LEU	LEU	GLN	ASN	GLY	MET
10	ASN	GLY	ARG	THR	ILE	LEU	GLY	SER	THR	ILE
11	LEU	GLU	ASP	GLU	PHE	THR	PRO	PHE	ASP	VAL
12	VAL	ARG	GLN	CYS	SER	GLY	VAL	THR	PHE	GLN

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1

Related Database Links:

PDB	1Q2W 1UJ1 1UK2 1UK3 1UK4 1WOF 1Z1I 1Z1J 2A5A 2A5I 2A5K 2ALV 2AMD 2AMQ 2BX3 2BX4 2C3S 2D2D 2DUC 2GT7 2GT8 2GTB 2GX4 2GZ7 2GZ8 2GZ9 2H2Z 2HOB 2K7X 2LIZ 2OP9 2PWX 2Q6G 2QC2 2QCY 2QIQ 2V6N 2VJ1 2YY4 2Z3C 2Z3D 2Z3E 2Z94 2Z9G 2Z9J 2Z9K 2Z9L 2ZU4 2ZU5 3ATW 3AVZ 3AW0 3AW1 3D62 3E91 3EA7 3EA8 3EBN 3F9E 3F9F 3F9G 3F9H 3FZD 3IWM 3M3S 3M3T 3M3V 3SN8 3SNA 3SNB 3SNC 3SND 3SNE 3SZN 3TIT 3TIU 3TNS 3TNT 3V3M 3VB3 3VB4 3VB5 3VB6 3VB7 4HI3 4MDS 4TWW 4TWY 4WY3
DBJ	BAC81346 BAC81347 BAC81360 BAC81361 BAC81374
GB	AAP13439 AAP13442 AAP13566 AAP13575 AAP30028
REF	NP_828849 NP_828850 NP_828863
SP	P0C6F5 P0C6F8 P0C6T7 P0C6U8 P0C6V9
AlphaFold	P0C6F5 P0C6F8 P0C6T7 P0C6U8 P0C6V9

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

BMRB Entry 17911

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	ASP	ARG	GLN	THR	ALA	GLN	ALA	ALA	GLY	THR
2	ASP	THR	THR	ILE	THR	LEU	ASN	VAL	LEU	ALA
3	TRP	LEU	TYR	ALA	ALA	VAL	ILE	ASN	GLY	ASP
4	ARG	TRP	PHE	LEU	ASN	ARG	PHE	THR	THR	THR
5	LEU	ASN	ASP	PHE	ASN	LEU	VAL	ALA	MET	LYS
6	TYR	ASN	TYR	GLU	PRO	LEU	THR	GLN	ASP	HIS
7	VAL	ASP	ILE	LEU	GLY	PRO	LEU	SER	ALA	GLN
8	THR	GLY	ILE	ALA	VAL	LEU	ASP	MET	CYS	ALA
9	ALA	LEU	LYS	GLU	LEU	LEU	GLN	ASN	GLY	MET
10	ASN	GLY	ARG	THR	ILE	LEU	GLY	SER	THR	ILE
11	LEU	GLU	ASP	GLU	PHE	THR	PRO	PHE	ASP	VAL
12	VAL	ARG	GLN	CYS	SER	GLY	VAL	THR	PHE	GLN

1	ASP	ARG	GLN	THR	ALA	GLN	ALA	ALA	GLY	THR
2	ASP	THR	THR	ILE	THR	LEU	ASN	VAL	LEU	ALA
3	TRP	LEU	TYR	ALA	ALA	VAL	ILE	ASN	GLY	ASP
4	ARG	TRP	PHE	LEU	ASN	ARG	PHE	THR	THR	THR
5	LEU	ASN	ASP	PHE	ASN	LEU	VAL	ALA	MET	LYS
6	TYR	ASN	TYR	GLU	PRO	LEU	THR	GLN	ASP	HIS
7	VAL	ASP	ILE	LEU	GLY	PRO	LEU	SER	ALA	GLN
8	THR	GLY	ILE	ALA	VAL	LEU	ASP	MET	CYS	ALA
9	ALA	LEU	LYS	GLU	LEU	LEU	GLN	ASN	GLY	MET
10	ASN	GLY	ARG	THR	ILE	LEU	GLY	SER	THR	ILE
11	LEU	GLU	ASP	GLU	PHE	THR	PRO	PHE	ASP	VAL
12	VAL	ARG	GLN	CYS	SER	GLY	VAL	THR	PHE	GLN

1	ASP	ARG	GLN	THR	ALA	GLN	ALA	ALA	GLY	THR
2	ASP	THR	THR	ILE	THR	LEU	ASN	VAL	LEU	ALA
3	TRP	LEU	TYR	ALA	ALA	VAL	ILE	ASN	GLY	ASP
4	ARG	TRP	PHE	LEU	ASN	ARG	PHE	THR	THR	THR
5	LEU	ASN	ASP	PHE	ASN	LEU	VAL	ALA	MET	LYS
6	TYR	ASN	TYR	GLU	PRO	LEU	THR	GLN	ASP	HIS
7	VAL	ASP	ILE	LEU	GLY	PRO	LEU	SER	ALA	GLN
8	THR	GLY	ILE	ALA	VAL	LEU	ASP	MET	CYS	ALA
9	ALA	LEU	LYS	GLU	LEU	LEU	GLN	ASN	GLY	MET
10	ASN	GLY	ARG	THR	ILE	LEU	GLY	SER	THR	ILE
11	LEU	GLU	ASP	GLU	PHE	THR	PRO	PHE	ASP	VAL
12	VAL	ARG	GLN	CYS	SER	GLY	VAL	THR	PHE	GLN