BMRBj - BMREntryMaster

Found 1 Document (1.61 seconds)

BMRB: 6613

1Z8R

Structure and dynamics of coxsackievirus B4 2A proteinase, an enzyme involved in the aetiology of heart disease

Authors

Baxter, N.J., Roetzer, A., Liebig, H.D., Sedelnikova, S.E., Hounslow, A.M., Skern, T., Waltho, J.P.

Assembly

2A proteinase

Entity

1. 2A proteinase (polymer, Thiol state: free and other bound), 166 monomers, 18402.31 Da Detail

MAHHHHHHER ASLITTGPYG HQSGAVYVGN YKVVNRHLAT HVDWQNCVWE DYNRDLLVST TTAHGCDTIA RCQCTTGVYF CASKSKHYPV SFEGPGLVEV QESEYYPKRY QSHVLLATGF SEPGDAGGIL RCEHGVIGLV TMGGEGVVGF ADVRDLLWLE DDAMEQ

2. ZN (non-polymer), 65.409 Da

Total weight

18467.719 Da

Max. entity weight

18402.31 Da

Entity Connection

na 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS72:SG	2:ZN1:ZN
2	na	sing	1:CYS74:SG	2:ZN1:ZN
3	na	sing	1:HIS134:ND1	2:ZN1:ZN
4	na	sing	1:CYS132:SG	2:ZN1:ZN

Source organism

Enterovirus B

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 88.6 %, Completeness: 78.8 %, Completeness (bb): 84.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	78.8 % (1449 of 1840)	76.9 % (721 of 937)	81.5 % (594 of 729)	77.0 % (134 of 174)
Backbone	84.2 % (830 of 986)	84.1 % (290 of 345)	85.2 % (409 of 480)	81.4 % (131 of 161)
Sidechain	74.5 % (746 of 1002)	72.8 % (431 of 592)	78.6 % (312 of 397)	23.1 % (3 of 13)
Aromatic	62.0 % (124 of 200)	62.0 % (62 of 100)	60.8 % (59 of 97)	100.0 % (3 of 3)
Methyl	88.1 % (155 of 176)	87.5 % (77 of 88)	88.6 % (78 of 88)

1. 2A proteinase

MAHHHHHHER ASLITTGPYG HQSGAVYVGN YKVVNRHLAT HVDWQNCVWE DYNRDLLVST TTAHGCDTIA RCQCTTGVYF CASKSKHYPV SFEGPGLVEV QESEYYPKRY QSHVLLATGF SEPGDAGGIL RCEHGVIGLV TMGGEGVVGF ADVRDLLWLE DDAMEQ

Show sample condition

Sample

Pressure 1 atm, Temperature 303 K, pH 7.6

#	Name	Isotope labeling	Concentration
1	2A proteinase	[U-15N]	0.25 mM
2	potassium phosphate		50 mM
3	DTT		10 mM
4	H2O		90 %
5	D2O		10 %

LACS Plot; CA

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

Referencing offset: -0.06 ppm, Outliers: 4 Detail

LACS Plot; CB

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

Referencing offset: -0.06 ppm, Outliers: 4 Detail

LACS Plot; HA

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

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.53 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 17 models in PDB: 1Z8R, Strand ID: A Detail

Release date

2006-04-09

Citation

Structure and dynamics of coxsackievirus B4 2A proteinase, an enyzme involved in the etiology of heart disease
Baxter, N.J., Roetzer, A., Liebig, H.D., Sedelnikova, S.E., Hounslow, A.M., Skern, T., Waltho, J.P.
J. Virol. (2006), 80, 1451-1462, PubMed 16415022 , DOI 10.1128/JVI.80.3.1451-1462.2006 , Abstract

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Found 1 Document (1.61 seconds)

BMRB: 6613

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. 2A proteinase, : 1 : 1 : 50 entities Detail

Interaction partners 1. 2A proteinase, : 1 interactors Detail

Experiments performed 1 experiments Detail

Instrument

Sample #1

Sample #2

Sample #3

Sample #4

#	Name	Isotope labeling	Concentration
6	2A proteinase	[U-13C; U-15N]	0.25 mM
7	potassium phosphate		50 mM
8	DTT		10 mM
9	H2O		90 %
10	D2O		10 %

#	Name	Isotope labeling	Concentration
11	2A proteinase	[U-13C; U-15N]	0.50 mM
12	potassium phosphate		50 mM
13	DTT		10 mM
14	H2O		90 %
15	D2O		10 %