BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 11597

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

Authors: Kasai, Takuma; Pawlak, Jana; Imamoto, Akira; Kigawa, Takanori

Citation: Shigeno-Nakazawa, Yoko; Kasai, Takuma; Kostyanovskaya, Elina; Pawlak, Jana; Yamagishi, Junya; Okimoto, Noriaki; Taiji, Makoto; Okada, Mariko; Sauka-Spengler, Tatjana; Westbrook, Jody; Satta, Yoko; Kigawa, Takanori; Imamoto, Akira. "A premetazoan origin of the CRK gene family and co-opted signaling network"  Sci. Rep. ., .-..

Assembly members:
crka1_SH2_domain, polymer, 104 residues, 11482.751 Da.

Natural source:   Common Name: Monosiga brevicollis   Taxonomy ID: 81824   Superkingdom: Eukaryota   Kingdom: not available   Genus/species: Monosiga brevicollis

Experimental source:   Production method: cell free synthesis   Host organism: E. coli - cell free

Entity Sequences (FASTA):
crka1_SH2_domain: GSSGSSGMAEAAAPWYHGPL SRTDAENSLLRMPEGTFLVR DSTSSPGDYVLSCSENGKVT HYKLSAEEGKIRIDTHLFDN LDAAITFYMEHELEYSSLKQ PLQR

Data sets:
Data typeCount
13C chemical shifts440
15N chemical shifts101
1H chemical shifts685

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Monosiga brevicollis CRK/CRKL homolog (crka1) SH2 domain1

Entities:

Entity 1, Monosiga brevicollis CRK/CRKL homolog (crka1) SH2 domain 104 residues - 11482.751 Da.

Residues -6 to 0 are cloning artifacts. GenBank entry KT795324 which corresponds to mRNA sequence of Monosiga brevicollis crka1 is not released yet. The nucleotide sequence of KT795324 is: TGCGCCTCGATCATTTTGAGCCCCAGGGCCTTTGTTGTGCATCATGGCGGAAGCCGCAGCACCCTGGTATCATGGGCCGC TGAGCCGCACCGATGCAGAAAACAGTCTCTTGCGTATGCCCGAAGGGACTTTCTTGGTCCGCGACAGCACCTCGTCCCCC GGAGATTATGTCCTCTCATGCAGCGAGAATGGCAAGGTGACGCACTACAAGCTCTCGGCCGAAGAGGGCAAGATTCGTAT CGATACACACCTCTTTGACAACCTGGATGCTGCCATCACCTTTTACATGGAGCACGAGTTGGAATACAGTTCGCTCAAAC AGCCCCTGCAACGGCAATCATCATGGCGCGATGACGAGCTTGTCGCCACGGTCATGTTCTCTGCAGAAGGGCTGTACAAG TTTGTCGGCCGCAATGAAAACGATTTACCCTTTGACAAGGGGGAGCTTCTCAATGTCTTGCAGCTAACACAGGACAATTG GTGGATGGCCCAGAGTCAGAAAACGCTCAAGATTGGCTACGTTCCCGTCAATTATGTCCGGGCGCTAGAGCAGCCAGCTG CCCCGCCACCGCGCCCTGCTCCACGTCCTGCCGAGGAGGAGTCTTCCAGGCTTGAGCGAACCGAATCCCGTCGTACGCCG GCCAGCCACCATCGACCCAAGGAACCCATGCCGGCAGGTGCCGTCATGACACGAGCTCCGGCTCGACATCACCAAGAGGC AAAGGCACCCCCTGCACGGCCTCAGCCGACTGGGCCTTCTGCCGCGGGTCCGATAGCCGCTGCTGCTCCGCCTCCACGTC CCAAAACATCAAAGCCCACGACCGACTTTAGTGCGCTCAAGGCTCAACTGCAGGAGCCAATTGTTTCCAATCCCACGCCC ACCTCGACGGCCCCAGAGCAGGCGGCTTTGCCCGCCGAAACCACGGCAGAAGTCTCAACACCAACGCAGCCGCTCGCATC TGCTCCGCCCACTTCTACGGCCTCGCATGAAGCGCCGGCAAGCTCTGCCGCACCCGCTACTCAGCACGGCGCAGGGTCAG AGGATCACGCTACCGCTCCCGACTCGGAGCCTCCCATCACTTTGGTCCGCGCCATCACCGCCATCATCCCCAACGCCTAT GACAATGATGCCTTGGTCTTGGAGGAAAATGATTTGGTTCACGTGCTGGATGGCGGCGAAGGCGCACTGGAGCGGGGCCG CGTTCTCAGAACTGGACAGATCGGCTTGTATCCCTTTGCAAAGACTGAGGATATTGAGAGCCACAACTACGATGCCGAAG TGAAGGCAGCCGTCGCTGACTACCTGAAGCGGTTTCCAGATGCATGCTAGCAAACCATAGGTGGCTATTGGCGACGGTCG TGAGATACGT And the translated protein sequence is: MAEAAAPWYHGPLSRTDAENSLLRMPEGTFLVRDSTSSPGDYVLSCSENGKVTHYKLSAEEGKIRIDTHLFDNLDAAITF YMEHELEYSSLKQPLQRQSSWRDDELVATVMFSAEGLYKFVGRNENDLPFDKGELLNVLQLTQDNWWMAQSQKTLKIGYV PVNYVRALEQPAAPPPRPAPRPAEEESSRLERTESRRTPASHHRPKEPMPAGAVMTRAPARHHQEAKAPPARPQPTGPSA AGPIAAAAPPPRPKTSKPTTDFSALKAQLQEPIVSNPTPTSTAPEQAALPAETTAEVSTPTQPLASAPPTSTASHEAPAS SAAPATQHGAGSEDHATAPDSEPPITLVRAITAIIPNAYDNDALVLEENDLVHVLDGGEGALERGRVLRTGQIGLYPFAK TEDIESHNYDAEVKAAVADYLKRFPDAC

1   GLYSERSERGLYSERSERGLYMETALAGLU
2   ALAALAALAPROTRPTYRHISGLYPROLEU
3   SERARGTHRASPALAGLUASNSERLEULEU
4   ARGMETPROGLUGLYTHRPHELEUVALARG
5   ASPSERTHRSERSERPROGLYASPTYRVAL
6   LEUSERCYSSERGLUASNGLYLYSVALTHR
7   HISTYRLYSLEUSERALAGLUGLUGLYLYS
8   ILEARGILEASPTHRHISLEUPHEASPASN
9   LEUASPALAALAILETHRPHETYRMETGLU
10   HISGLULEUGLUTYRSERSERLEULYSGLN
11   PROLEUGLNARG

Samples:

sample_1: crka1 SH2 domain, [U-13C; U-15N], 1.1 mM; TRIS, [U-2H], 20 mM; sodium chloride 100 mM; sodium azide 0.02%; DTT, [U-2H], 1 mM; D2O, [U-2H], 10%; H2O 90%

sample_conditions_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
2D (HB)CB(CGCD)HDsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

xwinnmr v3.6, Bruker Biospin - collection

TOPSPIN v2.1, Bruker Biospin - collection

NMRPipe v20110801, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView v5.2.2_01, Johnson, One Moon Scientific - data analysis

Kujira v0.9843, Kobayashi, Iwahara, Koshiba, Tomizawa, Tochio, G ntert, Kigawa, Yokoyama - chemical shift assignment, data analysis

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

AMBER v9, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

GB KT795324