BMRBj - BMREntryMaster

Found 1 Document (0.909 seconds)

BMRB: 19079

2M5T

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

Authors

Lee, W., Frederick, R., Tonelli, M., Troupis, A.T., Reinin, N., Suchy, F.P., Moyer, K., Watters, K., Aceti, D., Palmenberg, A.C., Markley, J.L.

Assembly

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

Entity

1. 2A proteinase (polymer), 142 monomers, 15538.16 Da Detail

GPSDLFVHTE QAIYKNAHLT TPNDQTILLA LTADLQIDGC DQPGPDNIPD CDCTSGCYYS RSLDRYIPVE CEAHDWYPVE ETQYYPKHIQ YNLLIGEGPC VPGDAGGKLL CRHGVIGIIT AGGDGHVAFT DLRPYNIKAT SQ

2. ZINC ION (non-polymer, Thiol state: not present), 65.409 Da
3. 5-benzyl-1,3-thiazol-2-amine (non-polymer, Thiol state: not present), 190.265 × 2 Da
4. (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, Thiol state: not present), 334.436 × 11 Da

Total weight

19662.896 Da

Max. entity weight

15538.16 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.6 %, Completeness: 85.2 %, Completeness (bb): 94.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.2 % (1343 of 1576)	85.3 % (692 of 811)	84.1 % (522 of 621)	89.6 % (129 of 144)
Backbone	94.2 % (782 of 830)	95.8 % (275 of 287)	92.5 % (381 of 412)	96.2 % (126 of 131)
Sidechain	78.5 % (686 of 874)	79.6 % (417 of 524)	78.9 % (266 of 337)	23.1 % (3 of 13)
Aromatic	10.9 % (14 of 128)	18.8 % (12 of 64)	3.2 % (2 of 63)	0.0 % (0 of 1)
Methyl	96.8 % (149 of 154)	97.4 % (75 of 77)	96.1 % (74 of 77)

1. 2A proteinase

GPSDLFVHTE QAIYKNAHLT TPNDQTILLA LTADLQIDGC DQPGPDNIPD CDCTSGCYYS RSLDRYIPVE CEAHDWYPVE ETQYYPKHIQ YNLLIGEGPC VPGDAGGKLL CRHGVIGIIT AGGDGHVAFT DLRPYNIKAT SQ

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	10 mM
2	sodium chloride	natural abundance	20 mM
3	DTT	natural abundance	10 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %
6	2A_proteinase	natural abundance	0.0 ~ 0.0 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	carbons	internal	direct	1.0
¹H	water	protons	internal	direct	1.0
¹⁵N	water	nitrogen	internal	direct	1.0

Referencing offset: -0.11 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	carbons	internal	direct	1.0
¹H	water	protons	internal	direct	1.0
¹⁵N	water	nitrogen	internal	direct	1.0

Referencing offset: -0.11 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	carbons	internal	direct	1.0
¹H	water	protons	internal	direct	1.0
¹⁵N	water	nitrogen	internal	direct	1.0

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	carbons	internal	direct	1.0
¹H	water	protons	internal	direct	1.0
¹⁵N	water	nitrogen	internal	direct	1.0

Referencing offset: 0.74 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 2M5T, Strand ID: A Detail

Release date

2014-03-13

Citation

Solution structure of the 2A protease from a common cold agent, human rhinovirus C2, strain W12
Lee, W., Watters, K.E., Troupis, A.T., Reinen, N.M., Suchy, F.P., Moyer, K.L., Frederick, R.O., Tonelli, M., Aceti, D.J., Palmenberg, A.C., Markley, J.L.
PLoS One (2014), 9, e97198-e97198, PubMed 24937088 , DOI 10.1371/journal.pone.0097198 , Abstract

Related entities 1. 2A proteinase, : 1 : 140 entities Detail

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC