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BMRB: 18526

2LUL

Solution NMR Structure of PH Domain of Tyrosine-protein kinase Tec from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR3504C

Authors

Liu, G., Xiao, R., Janjua, H., Hamilton, K., Shastry, R., Kohan, E., Acton, T.B., Everett, J.K., Lee, H., Pederson, K., Huang, Y.J., Montelione, G.T.

Assembly

HR3504C

Entity

1. HR3504C (polymer, Thiol state: free and other bound), 165 monomers, 19539.67 Da Detail

MGHHHHHHSH MNFNTILEEI LIKRSQQKKK TSPLNYKERL FVLTKSMLTY YEGRAEKKYR KGFIDVSKIK CVEIVKNDDG VIPCQNKYPF QVVHDANTLY IFAPSPQSRD LWVKKLKEEI KNNNNIMIKY HPKFWTDGSY QCCRQTEKLA PGCEKYNLFE SSIRX

2. ZINC ION (non-polymer), 65.409 Da

Total weight

19605.078 Da

Max. entity weight

19539.67 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

distance geometry, simulated annealing, molecular dynamics, torsion angle dynamics

Data set

assigned_chemical_shifts, RDCs

Chem. Shift Complete

Sequence coverage: 93.3 %, Completeness: 88.9 %, Completeness (bb): 88.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.9 % (1832 of 2061)	89.2 % (972 of 1090)	88.8 % (705 of 794)	87.6 % (155 of 177)
Backbone	88.1 % (855 of 970)	88.4 % (289 of 327)	88.7 % (431 of 486)	86.0 % (135 of 157)
Sidechain	89.8 % (1122 of 1249)	89.5 % (683 of 763)	89.9 % (419 of 466)	100.0 % (20 of 20)
Aromatic	81.2 % (164 of 202)	82.2 % (83 of 101)	79.8 % (79 of 99)	100.0 % (2 of 2)
Methyl	98.6 % (144 of 146)	98.6 % (72 of 73)	98.6 % (72 of 73)

1. HR3504C

MGHHHHHHSH MNFNTILEEI LIKRSQQKKK TSPLNYKERL FVLTKSMLTY YEGRAEKKYR KGFIDVSKIK CVEIVKNDDG VIPCQNKYPF QVVHDANTLY IFAPSPQSRD LWVKKLKEEI KNNNNIMIKY HPKFWTDGSY QCCRQTEKLA PGCEKYNLFE SSIRX

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.614 mM hr3504c.023, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hr3504c.023	[U-100% 13C; U-100% 15N]	0.614 mM
2	DSS	natural abundance	50 uM
3	DTT	natural abundance	10 mM
4	ZnSO4	natural abundance	50 uM
5	NaN3	natural abundance	0.02 %
6	NaCL	natural abundance	100 mM
7	MES pH 6.5	natural abundance	20 mM
8	Proteinase Inhibitors	natural abundance	1 na
9	D2O	natural abundance	10 %
10	H2O	natural abundance	90 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.828 mM hr3504c.025, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	hr3504c.025	[U-5% 13C; U-100% 15N]	0.828 mM
12	DSS	natural abundance	50 uM
13	DTT	natural abundance	10 mM
14	ZnSO4	natural abundance	50 uM
15	NaN3	natural abundance	0.02 %
16	NaCL	natural abundance	100 mM
17	MES pH 6.5	natural abundance	20 mM
18	Proteinase Inhibitors	natural abundance	1 na
19	D2O	natural abundance	10 %
20	H2O	natural abundance	90 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.52 mM hr3504c.027, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
21	hr3504c.027	[U-5% 13C; U-100% 15N]	0.52 mM
22	DSS	natural abundance	50 uM
23	DTT	natural abundance	10 mM
24	ZnSO4	natural abundance	50 uM
25	NaN3	natural abundance	0.02 %
26	NaCL	natural abundance	100 mM
27	MES pH 6.5	natural abundance	20 mM
28	Proteinase Inhibitors	natural abundance	1 na
29	D2O	natural abundance	10 %
30	H2O	natural abundance	90 %

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: 0.0 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: 0.0 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: -0.03 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: 0.69 ppm, Outliers: 4 Detail

Protein Blocks Logo

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

RDC

67 RDC values in 1 lists
Field strength (¹H) 599.520 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Release date

2012-08-12

Related entities 1. HR3504C, : 1 : 2 : 66 entities Detail

Interaction partners 1. HR3504C, : 14 interactors Detail

More details for 14 interactors identified by 6 citations

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC