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BMRB: 16715

2LAV

1H, 13C, and 15N Chemical Shift Assignments for human Vaccinia-Related Kinase-1 Lysozyme

Authors

Shin, J., Yoon, H.

Assembly

Vaccinia Related-Kinase 1

Entity

1. Vaccinia Related-Kinase 1 (polymer, Thiol state: all free), 360 monomers, 41216.95 Da Detail

MPRVKAAQAG RQSSAKRHLA EQFAVGEIIT DMAKKEWKVG LPIGQGGFGC IYLADMNSSE SVGSDAPCVV KVEPSDNGPL FTELKFYQRA AKPEQIQKWI RTRKLKYLGV PKYWGSGLHD KNGKSYRFMI MDRFGSDLQK IYEANAKRFS RKTVLQLSLR ILDILEYIHE HEYVHGDIKA SNLLLNYKNP DQVYLVDYGL AYRYCPEGVH KEYKEDPKRC HDGTIEFTSI DAHNGVAPSR RGDLEILGYC MIQWLTGHLP WEDNLKDPKY VRDSKIRYRE NIASLMDKCF PEKNKPGEIA KYMETVKLLD YTEKPLYENL RDILLQGLKA IGSKDDGKLD LSVVENGGLK AKTITKKRKK

Formula weight

41216.95 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 77.9 %, Completeness (bb): 96.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	77.9 % (3385 of 4343)	78.8 % (1802 of 2287)	73.6 % (1238 of 1682)	92.2 % (345 of 374)
Backbone	96.1 % (2044 of 2128)	93.9 % (687 of 732)	97.2 % (1023 of 1052)	97.1 % (334 of 344)
Sidechain	65.3 % (1662 of 2547)	71.8 % (1116 of 1555)	55.6 % (535 of 962)	36.7 % (11 of 30)
Aromatic	39.9 % (138 of 346)	71.1 % (123 of 173)	6.0 % (10 of 168)	100.0 % (5 of 5)
Methyl	90.4 % (329 of 364)	92.9 % (169 of 182)	87.9 % (160 of 182)

1. Vaccinia Related-Kinase 1

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	Vaccinia Related-Kinase 1	[U-100% 13C; U-100% 15N; U-80% 2H]	0.3 ~ 0.5 mM
2	Vaccinia Related-Kinase 1	[U-100% 15N; U-50% 2H]	0.3 ~ 0.5 mM
3	Vaccinia Related-Kinase 1	[U-100% 15N]	0.1 ~ 0.2 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Concentration
6	Vaccinia Related-Kinase 1	[U-100% 13C; U-100% 15N; U-70% 2H]	0.3 ~ 0.5 mM
7	Vaccinia Related-Kinase 1	[13C;15N]-Val,Ile,Leu; [U-100% 2H]	0.3 ~ 0.5 mM
8	D2O	natural abundance	100 %

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: 0.38 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: 0.38 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: 0.15 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: 0.3 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LAV, Strand ID: A Detail

Release date

2011-06-22

Citation

NMR solution structure of human vaccinia-related kinase 1 (VRK1) reveals the C-terminal tail essential for its structural stability and autocatalytic activity
Shin, J., Chakraborty, G., Bharatham, N., Kang, C., Tochio, N., Koshiba, S., Kigawa, T., Kim, W., Kim, K., Yoon, H.
J. Biol. Chem. (2011), 286, 22131-22138, PubMed 21543316 , DOI 10.1074/jbc.M110.200162 , Abstract

Related entities 1. Vaccinia Related-Kinase 1, : 1 : 6 : 18 : 269 entities Detail

Interaction partners 1. Vaccinia Related-Kinase 1, : 22 interactors Detail

More details for 22 interactors identified by 16 citations

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC