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BMRB: 19314

2M9X

Solution NMR Structure of Microtubule-associated serine/threonine-protein kinase 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR9151A

Authors

Xu, X., Eletsky, A., Shastry, R., Lee, D., Hamilton, K., Xiao, R., Acton, T.B., Everett, J.K., Montelione, G.T., Szyperski, T.

Assembly

HR9151A

Entity

1. HR9151A (polymer, Thiol state: all free), 112 monomers, 13017.78 Da Detail

MGHHHHHHSH MPKATAQMEE KLRDFTRAYE PDSVLPLADG VLSFIHHQII ELARDCLTKS RDGLITTVYF YELQENLEKL LQDAYERSES LEVAFVTQLV KKLLIIISRP AR

Formula weight

13017.78 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 89.3 %, Completeness: 85.8 %, Completeness (bb): 84.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.8 % (1152 of 1343)	85.8 % (598 of 697)	85.5 % (455 of 532)	86.8 % (99 of 114)
Backbone	84.9 % (564 of 664)	84.8 % (189 of 223)	84.7 % (282 of 333)	86.1 % (93 of 108)
Sidechain	86.7 % (683 of 788)	86.3 % (409 of 474)	87.0 % (268 of 308)	100.0 % (6 of 6)
Aromatic	63.0 % (68 of 108)	63.0 % (34 of 54)	63.0 % (34 of 54)
Methyl	98.6 % (138 of 140)	98.6 % (69 of 70)	98.6 % (69 of 70)

1. HR9151A

MGHHHHHHSH MPKATAQMEE KLRDFTRAYE PDSVLPLADG VLSFIHHQII ELARDCLTKS RDGLITTVYF YELQENLEKL LQDAYERSES LEVAFVTQLV KKLLIIISRP AR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5, Details 0.508 mM HR9151A, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR9151A.011	[U-100% 13C; U-100% 15N]	0.508 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	DSS	natural abundance	50 uM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.5, Details 0.388 mM HR9151A, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	HR9151A.011	[%5-13C; U-100% 15N]	0.39 mM
8	DTT	natural abundance	5 mM
9	NaCl	natural abundance	100 mM
10	Tris-HCl pH 7.5	natural abundance	10 mM
11	NaN3	natural abundance	0.02 %
12	DSS	natural abundance	50 uM

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: 0.06 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: 0.06 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: 0.02 ppm, Outliers: 2 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: -0.2 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M9X, Strand ID: A Detail

Release date

2013-07-07

Related entities 1. HR9151A, : 1 : 31 entities Detail

Interaction partners 1. HR9151A, : 33 interactors Detail

More details for 33 interactors identified by 3 citations