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BMRB: 17030

2L05

Solution NMR Structure of the Ras-binding domain of Serine/threonine-protein kinase B-raf from Homo sapiens, Northeast Structural Genomics Consortium Target HR4694F

Authors

Aramini, J.M., Janjua, H., Ciccosanti, C., Shastry, R., Huang, Y.J., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T.

Assembly

HR4694F

Entity

1. HR4694F (polymer, Thiol state: all free), 95 monomers, 10861.59 Da Detail

MGHHHHHHSH MPKSPQKPIV RVFLPNKQRT VVPARCGVTV RDSLKKALMM RGLIPECCAV YRIQDGEKKP IGWDTDISWL TGEELHVEVL ENVPL

Formula weight

10861.59 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: 90.5 %, Completeness: 88.8 %, Completeness (bb): 88.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.8 % (1003 of 1130)	89.0 % (528 of 593)	88.3 % (391 of 443)	89.4 % (84 of 94)
Backbone	88.3 % (489 of 554)	88.3 % (166 of 188)	88.2 % (246 of 279)	88.5 % (77 of 87)
Sidechain	89.2 % (593 of 665)	89.4 % (362 of 405)	88.5 % (224 of 253)	100.0 % (7 of 7)
Aromatic	62.2 % (46 of 74)	62.2 % (23 of 37)	60.0 % (21 of 35)	100.0 % (2 of 2)
Methyl	98.1 % (104 of 106)	96.2 % (51 of 53)	100.0 % (53 of 53)

1. HR4694F

MGHHHHHHSH MPKSPQKPIV RVFLPNKQRT VVPARCGVTV RDSLKKALMM RGLIPECCAV YRIQDGEKKP IGWDTDISWL TGEELHVEVL ENVPL

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Concentration
1	HR4694F	[U-100% 13C; U-100% 15N]	0.84 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	DSS	natural abundance	50 uM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Concentration
10	HR4694F	[U-5% 13C; U-100% 15N]	0.69 mM
11	ammonium acetate	natural abundance	20 mM
12	sodium chloride	natural abundance	100 mM
13	calcium chloride	natural abundance	5 mM
14	DTT	natural abundance	10 mM
15	sodium azide	natural abundance	0.02 %
16	DSS	natural abundance	50 uM
17	H2O	natural abundance	90 %
18	D2O	natural abundance	10 %

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: -0.01 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: -0.01 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: -0.08 ppm, Outliers: 5 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: 0.55 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L05, Strand ID: A Detail

Release date

2010-07-06

Related entities 1. HR4694F, : 1 : 23 : 44 entities Detail

Interaction partners 1. HR4694F, : 44 interactors Detail

More details for 44 interactors identified by 15 citations

Experiments performed 19 experiments Detail

1 2D 1H-15N HSQC