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BMRB: 16738

2KUL

solution structure of human vaccinia related kinase1(VRK1)

Authors

Shin, J., Yoon, H.

Assembly

VRK1

Entity

1. VRK1 (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

TORSION ANGLE DYNAMICS, simulated annealing, TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 79.9 %, Completeness (bb): 95.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.9 % (3469 of 4343)	80.5 % (1841 of 2287)	76.0 % (1279 of 1682)	93.3 % (349 of 374)
Backbone	95.9 % (2040 of 2128)	93.9 % (687 of 732)	97.0 % (1020 of 1052)	96.8 % (333 of 344)
Sidechain	68.4 % (1743 of 2547)	74.0 % (1150 of 1555)	60.0 % (577 of 962)	53.3 % (16 of 30)
Aromatic	41.3 % (143 of 346)	71.1 % (123 of 173)	8.9 % (15 of 168)	100.0 % (5 of 5)
Methyl	89.6 % (326 of 364)	91.8 % (167 of 182)	87.4 % (159 of 182)

1. VRK1

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, 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, Pressure 1 atm, 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: 2KUL, Strand ID: A Detail

Release date

2011-05-12

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

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

  BMRB: 16715 released on 2011-06-22
    Title 1H, 13C, and 15N Chemical Shift Assignments for human Vaccinia-Related Kinase-1 Lysozyme
  Swiss-Prot: Q99986 released on 2003-10-10
    Title VRK1_HUMAN Entity Serine/threonine-protein kinase VRK1

Related entities 1. VRK1, : 1 : 6 : 17 : 256 entities Detail

Interaction partners 1. VRK1, : 22 interactors Detail

More details for 22 interactors identified by 16 citations

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC