BMRB Entry 16632

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16632
MolProbity Validation Chart

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Title:
Kalirin DH1 NMR structure
Deposition date:
2009-12-10
Original release date:
2012-08-03
Authors:
Gorbatyuk, Vitaliy; Schiller, Martin; Hoch, Jeffrey
Citation:

Citation: Gorbatyuk, Vitaliy; Schiller, Martin; Gorbatyuk, Oksana; Barwinski, Marek; Hoch, Jeffrey. "N-terminal Dbl domain of the RhoGEF, Kalirin"  J. Biomol. NMR 52, 269-276 (2012).
PubMed: 22314704

Assembly members:

Assembly members:
KalDH1, polymer, 190 residues, 21965.1487 Da.

Natural source:

Natural source:   Common Name: Norway rat   Taxonomy ID: 10116   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Rattus norvegicus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pGEX6P

Entity Sequences (FASTA):

Entity Sequences (FASTA):
KalDH1: GPLGSPEFPGRKKEFIMAEL LQTEKAYVRDLHECLETYLW EMTSGVEEIPPGILNKEHII FGNIQEIYDFHNNIFLKELE KYEQLPEDVGHCFVTWADKF QMYVTYCKNKPDSNQLILEH AGTFFDEIQQRHGLANSISS YLIKPVQRVTKYQLLLKELL TCCEEGKGELKDGLEVMLSV PKKANDAMHV

Data typeCount
13C chemical shifts1792
15N chemical shifts398
1H chemical shifts2788

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1KalDH11

Entities:

Entity 1, KalDH1 190 residues - 21965.1487 Da.

1   GLYPROLEUGLYSERPROGLUPHEPROGLY
2   ARGLYSLYSGLUPHEILEMETALAGLULEU
3   LEUGLNTHRGLULYSALATYRVALARGASP
4   LEUHISGLUCYSLEUGLUTHRTYRLEUTRP
5   GLUMETTHRSERGLYVALGLUGLUILEPRO
6   PROGLYILELEUASNLYSGLUHISILEILE
7   PHEGLYASNILEGLNGLUILETYRASPPHE
8   HISASNASNILEPHELEULYSGLULEUGLU
9   LYSTYRGLUGLNLEUPROGLUASPVALGLY
10   HISCYSPHEVALTHRTRPALAASPLYSPHE
11   GLNMETTYRVALTHRTYRCYSLYSASNLYS
12   PROASPSERASNGLNLEUILELEUGLUHIS
13   ALAGLYTHRPHEPHEASPGLUILEGLNGLN
14   ARGHISGLYLEUALAASNSERILESERSER
15   TYRLEUILELYSPROVALGLNARGVALTHR
16   LYSTYRGLNLEULEULEULYSGLULEULEU
17   THRCYSCYSGLUGLUGLYLYSGLYGLULEU
18   LYSASPGLYLEUGLUVALMETLEUSERVAL
19   PROLYSLYSALAASNASPALAMETHISVAL

Samples:

sample_1: KalDH1, [U-100% 13C; U-100% 15N], 0.6 mM; Hepes 50.0 mM; H2O 90%; D2O 10%

sample_2: KalDH1, [U-100% 15N], 0.56 mM; Hepes 50.00 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.05 M; pH: 6.80; pressure: 1.00 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
aroChsqc (H[C[caro]])sample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC/HMQCsample_1isotropicsample_conditions_1
4dCNnoesy (H[C]_H[N].NOESY)sample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HBHACONHsample_1isotropicsample_conditions_1
3D HNHAsample_2isotropicsample_conditions_1
3D NhsqcnoesyNhsqcsample_2isotropicsample_conditions_1

Software:

ARIA v2.2, Nilges M., et al - NOE assignment, Structure calculation

ANALYSIS v2.1, CCPN - Spectrum display, Spectrum analysis

CYANA v2.1, P. Guntert - NOE assignment, Structure calculation

DANGLE v1.1, CCPN - Dihedral angle prediction

NMRDraw vany, F. Delaglio, et al - Spectrum analysis, Spectrum display

NMRPipe vany, F. Delaglio, et al - Spectrum processing

SPARKY vany, T. D. Goddard and D. G. Kneller - Spectrum analysis, Spectrum display

NMR spectrometers:

  • Varian UnityInova 600 MHz
  • Varian UnityInova 500 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks