BMRB Entry 16606

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16606
MolProbity Validation Chart

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Title:
SOLUTION STRUCTURE OF THE KI O18/O8 Y87H IMMUNOGLOBULIN LIGHT CHAIN VARIABLE DOMAIN
Deposition date:
2009-11-11
Original release date:
2010-05-13
Authors:
Volkman, B.; Peterson, F.; Ramirez-Alvarado, M.; Baden, E.
Citation:

Citation: Baden, E.; Peterson, F.; Owen, B.; Volkman, B.; Ramirez-Alvarado, M.. "TBD"  To be published ., .-..

Assembly members:

Assembly members:
kI O18/O8 Y87H, polymer, 110 residues, 12103.389 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-12a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
kI O18/O8 Y87H: STDIQMTQSPSSLSASVGDR VTITCQASQDISNYLNWYQQ KPGKAPKLLIYDASNLETGV PSRFSGSGSGTDFTFTISSL QPEDIATYHCQQYDNLPYTF GQGTKLEIKR

Data sets:
Data typeCount
13C chemical shifts910
15N chemical shifts256
1H chemical shifts1548

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1kI O18/O8 Y87H_11
2kI O18/O8 Y87H_21

Entities:

Entity 1, kI O18/O8 Y87H_1 110 residues - 12103.389 Da.

Numbering in the second monomer, chain B, is offset by 200. The ST dipeptide at the N-terminus is a cloning artifact.

1   SERTHRASPILEGLNMETTHRGLNSERPRO
2   SERSERLEUSERALASERVALGLYASPARG
3   VALTHRILETHRCYSGLNALASERGLNASP
4   ILESERASNTYRLEUASNTRPTYRGLNGLN
5   LYSPROGLYLYSALAPROLYSLEULEUILE
6   TYRASPALASERASNLEUGLUTHRGLYVAL
7   PROSERARGPHESERGLYSERGLYSERGLY
8   THRASPPHETHRPHETHRILESERSERLEU
9   GLNPROGLUASPILEALATHRTYRHISCYS
10   GLNGLNTYRASPASNLEUPROTYRTHRPHE
11   GLYGLNGLYTHRLYSLEUGLUILELYSARG

Samples:

sample_1: kI O18/O8 Y87H, [U-100% 13C; U-100% 15N], 0.8 mM; MES, [U-2H], 10 mM; sodium azide 0.02%; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 8 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D_15N-separated_NOESYsample_1isotropicsample_conditions_1
3D_13C-separated_NOESYsample_1isotropicsample_conditions_1
3D_13C-separated_NOESY (AROMATIC)sample_1isotropicsample_conditions_1

Software:

X-PLOR NIH v2.9.3, SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. - refinement

TOPSPIN v2.1, Bruker - collection

NMRPipe v2007, Delagio,F. et al. - processing

XEASY v1.3, Eccles, C., Guntert, P., Billeter, M., Wuthrich, K. - data analysis

GARANT v2.1, C. Bartels - data analysis

CYANA v2.1, Guntert, P. - structural calculation

NMR spectrometers:

  • Bruker Avance II 600 MHz

Related Database Links:

PDB
EMBL CAC01163 CAC01176 CAC01184 CAC10844 CAC10892
GB AAA58925 AAA58926 AAA58927 AAB30971 AAD16566
PIR I52592 PH0862 S34088 S42263 S43528

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