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BMRB: 16353

2KK6

SOLUTION STRUCTURE OF SH2 DOMAIN OF PROTO-ONCOGENE TYROSINE-PROTEIN KINASE FER FROM HOMO SAPIENS, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET HR3461D

Authors

Tang, Y., Wang, D., Nwosu, C., Owens, L., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T.

Assembly

Proto-oncogene tyrosine-protein kinase FER

Entity

1. Proto-oncogene tyrosine-protein kinase FER (polymer, Thiol state: all free), 116 monomers, 13618.35 Da Detail

MGHHHHHHSH MKPLAEQDWY HGAIPRIEAQ ELLKKQGDFL VRESHGKPGE YVLSVYSDGQ RRHFIIQYVD NMYRFEGTGF SNIPQLIDHH YTTKQVITKK SGVVLLNPIP KDKKWI

Formula weight

13618.35 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.8 %, Completeness: 91.7 %, Completeness (bb): 92.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.7 % (1309 of 1427)	92.2 % (690 of 748)	90.7 % (505 of 557)	93.4 % (114 of 122)
Backbone	92.3 % (631 of 684)	93.2 % (219 of 235)	91.4 % (310 of 339)	92.7 % (102 of 110)
Sidechain	91.5 % (778 of 850)	91.8 % (471 of 513)	90.8 % (295 of 325)	100.0 % (12 of 12)
Aromatic	76.2 % (122 of 160)	76.2 % (61 of 80)	75.6 % (59 of 78)	100.0 % (2 of 2)
Methyl	98.2 % (108 of 110)	96.4 % (53 of 55)	100.0 % (55 of 55)

1. SH2 domain

MGHHHHHHSH MKPLAEQDWY HGAIPRIEAQ ELLKKQGDFL VRESHGKPGE YVLSVYSDGQ RRHFIIQYVD NMYRFEGTGF SNIPQLIDHH YTTKQVITKK SGVVLLNPIP KDKKWI

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.03 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
4	entity	[U-10% 13C; U-100% 15N]	1.20 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

LACS Plot; CA

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

Referencing offset: -0.17 ppm, Outliers: 4 Detail

LACS Plot; CB

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

Referencing offset: -0.17 ppm, Outliers: 4 Detail

LACS Plot; HA

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

Referencing offset: 0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.3 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KK6, Strand ID: A Detail

Release date

2009-08-05

Citation

SOLUTION STRUCTURE OF SH2 DOMAIN OF PROTO-ONCOGENE TYROSINE-PROTEIN KINASE FER FROM HOMO SAPIENS, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET HR3461D
Tang, Y., Montelione, G.
Not known

Related entities 1. Proto-oncogene tyrosine-protein kinase FER, : 1 : 3 : 164 entities Detail

Interaction partners 1. Proto-oncogene tyrosine-protein kinase FER, : 25 interactors Detail

More details for 25 interactors identified by 13 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC