BMRB Entry 19079

Name: Solution structure of the 2A proteinase from a common cold agent, human rhinovirus RV-C02, strain W12
Published: 2014-03-14

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PDB ID: 2m5t
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19079
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:

Solution structure of the 2A proteinase from a common cold agent, human rhinovirus RV-C02, strain W12

Deposition date:

2013-03-07

Original release date:

2014-03-14

Authors:

Lee, Woonghee; Frederick, Ronnie; Tonelli, Marco; Troupis, Andrew; Reinin, Nichole; Suchy, Fabian; Moyer, Kylie; Watters, Kelly; Aceti, David; Palmenberg, Ann; Markley, John

Citation:

Citation: Lee, Woonghee; Watters, Kelly; Troupis, Andrew; Reinen, Nichole; Suchy, Fabian; Moyer, Kylie; Frederick, Ronnie; Tonelli, Marco; Aceti, David; Palmenberg, Ann; Markley, John. "Solution Structure of the 2A Protease from a Common Cold Agent, Human Rhinovirus C2, Strain W12." PLoS ONE 9, e97198-e97198 (2014).
PubMed: 24937088

Assembly members:

Assembly members:
2A_proteinase, polymer, 142 residues, 15552.405 Da.
ZINC ION, non-polymer, 65.409 Da.
5-benzyl-1,3-thiazol-2-amine, non-polymer, 190.265 Da.
(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, non-polymer, 334.436 Da.

Natural source:

Natural source: Common Name: Humans Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pE-SUMO Kan

Entity Sequences (FASTA):

Entity Sequences (FASTA):
2A_proteinase: GPSDLFVHTEQAIYKNAHLT TPNDQTILLALTADLQIDGC DQPGPDNIPDCDCTSGCYYS RSLDRYIPVECEAHDWYPVE ETQYYPKHIQYNLLIGEGPC VPGDAGGKLLCRHGVIGIIT AGGDGHVAFTDLRPYNIKAT SQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	515
15N chemical shifts	125
1H chemical shifts	845

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	2A_proteinase	1
2	5-BENZYL-1,3-THIAZOL-2-AMINE_1	3
3	LL5_1	4
4	LL5_2	4
5	LL5_3	4
6	LL5_4	4
7	LL5_5	4
8	LL5_6	4
9	LL5_7	4
10	LL5_8	4
11	LL5_9	4
12	LL5_10	4
13	LL5_11	4
14	5-BENZYL-1,3-THIAZOL-2-AMINE_2	3
15	ZINC ION	2

Entities:

Entity 1, 2A_proteinase 142 residues - 15552.405 Da.

1

GLY

PRO

SER

ASP

LEU

PHE

VAL

HIS

THR

GLU

2

GLN

ALA

ILE

TYR

LYS

ASN

ALA

HIS

LEU

THR

3

THR

PRO

ASN

ASP

GLN

THR

ILE

LEU

ALA

4

LEU

THR

ALA

ASP

LEU

GLN

ILE

ASP

GLY

CYS

5

ASP

GLN

PRO

GLY

PRO

ASP

ASN

ILE

PRO

ASP

6

CYS

ASP

CYS

THR

SER

GLY

CYS

TYR

SER

7

ARG

SER

LEU

ASP

ARG

TYR

ILE

PRO

VAL

GLU

8

CYS

GLU

ALA

HIS

ASP

TRP

TYR

PRO

VAL

GLU

9

GLU

THR

GLN

TYR

PRO

LYS

HIS

ILE

GLN

10

TYR

ASN

LEU

ILE

GLY

GLU

GLY

PRO

CYS

11

VAL

PRO

GLY

ASP

ALA

GLY

LYS

LEU

12

CYS

ARG

HIS

GLY

VAL

ILE

GLY

ILE

THR

13

ALA

GLY

ASP

GLY

HIS

VAL

ALA

PHE

THR

14

ASP

LEU

ARG

PRO

TYR

ASN

ILE

LYS

ALA

THR

15

SER

GLN

Entity 3, 5-BENZYL-1,3-THIAZOL-2-AMINE_1 - C10 H10 N2 S - 190.265 Da.

1

LL2

Entity 4, LL5_1 - C16 H22 N4 O2 S - 334.436 Da.

1

LL5

Entity 2, ZINC ION - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: MES 10 mM; sodium chloride 20 mM; DTT 10 mM; H2O 90%; D2O 10%; 2A_proteinase mM

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 313 K

Experiments:

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 HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D H(C)CH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

No software information available

NMR spectrometers:

Varian VNMRS 600 MHz
Varian VNMRS 800 MHz
Varian VNMRS 900 MHz

PDB	2M5T
GB	ABQ51392 AET25086 AET72466 AET85046 AFD64770