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BMRB: 11597

2RVF

Solution NMR structure of Monosiga brevicollis CRK/CRKL homolog (crka1) SH2 domain

Authors

Kasai, T., Pawlak, J., Imamoto, A., Kigawa, T.

Assembly

Monosiga brevicollis CRK/CRKL homolog (crka1) SH2 domain

Entity

1. Monosiga brevicollis CRK/CRKL homolog (crka1) SH2 domain (polymer, Thiol state: all free), 104 monomers, 11469.55 Da Detail

GSSGSSGMAE AAAPWYHGPL SRTDAENSLL RMPEGTFLVR DSTSSPGDYV LSCSENGKVT HYKLSAEEGK IRIDTHLFDN LDAAITFYME HELEYSSLKQ PLQR

Formula weight

11469.55 Da

Source organism

Monosiga brevicollis

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.1 %, Completeness: 97.0 %, Completeness (bb): 96.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.0 % (1124 of 1159)	97.0 % (581 of 599)	97.1 % (442 of 455)	96.2 % (101 of 105)
Backbone	96.1 % (590 of 614)	94.8 % (200 of 211)	97.0 % (295 of 304)	96.0 % (95 of 99)
Sidechain	98.0 % (628 of 641)	98.2 % (381 of 388)	97.6 % (241 of 247)	100.0 % (6 of 6)
Aromatic	95.9 % (94 of 98)	100.0 % (49 of 49)	91.7 % (44 of 48)	100.0 % (1 of 1)
Methyl	100.0 % (96 of 96)	100.0 % (48 of 48)	100.0 % (48 of 48)

1. crka1 SH2 domain

GSSGSSGMAE AAAPWYHGPL SRTDAENSLL RMPEGTFLVR DSTSSPGDYV LSCSENGKVT HYKLSAEEGK IRIDTHLFDN LDAAITFYME HELEYSSLKQ PLQR

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	crka1 SH2 domain	[U-13C; U-15N]	protein	1.1 mM
2	TRIS	[U-2H]	buffer	20 mM
3	sodium chloride	natural abundance	salt	100 mM
4	sodium azide	natural abundance		0.02 %
5	DTT	[U-2H]		1 mM
6	D2O	[U-2H]	solvent	10 %
7	H2O	natural abundance	solvent	90 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.768 ppm	internal	indirect	0.2514495
¹H	water	protons	4.768 ppm	internal	direct	1.0
¹⁵N	water	protons	4.768 ppm	internal	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.768 ppm	internal	indirect	0.2514495
¹H	water	protons	4.768 ppm	internal	direct	1.0
¹⁵N	water	protons	4.768 ppm	internal	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.768 ppm	internal	indirect	0.2514495
¹H	water	protons	4.768 ppm	internal	direct	1.0
¹⁵N	water	protons	4.768 ppm	internal	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.768 ppm	internal	indirect	0.2514495
¹H	water	protons	4.768 ppm	internal	direct	1.0
¹⁵N	water	protons	4.768 ppm	internal	indirect	0.1013291

Referencing offset: 0.31 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 21 models in PDB: 2RVF, Strand ID: A Detail

Release date

2016-09-18

Citation

A premetazoan origin of the CRK gene family and co-opted signaling network
Shigeno-Nakazawa, Y., Kasai, T., Kostyanovskaya, E., Pawlak, J., Yamagishi, J., Okimoto, N., Taiji, M., Okada, M., Sauka-Spengler, T., Westbrook, J., Satta, Y., Kigawa, T., Imamoto, A.
Sci. Rep.

Related entities 1. Monosiga brevicollis CRK/CRKL homolog (crka1) SH2 domain, : 1 : 177 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC