BMRB Entry 52907

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52907
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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Title:
Chemical shift assignments of SET-9/26 PHD finger in the peptide (H3K4me3)-bound state
Deposition date:
2025-02-13
Original release date:
2026-10-11
Authors:
Mohanty, Biswaranjan; Jones, Natasha; Mackay, Joel
Citation:

Citation: Mohanty, Biswaranjan; Jones, Natasha; Mackay, Joel. "Chemical shift assignments of SET-9/26 PHD finger in the peptide (H3K4me3)-bound state "  .

Assembly members:

Assembly members:
entity_1, polymer, 92 residues, Formula weight is not available
entity_2, polymer, 20 residues, Formula weight is not available
entity_ZN, non-polymer, 65.409 Da.

Natural source:

Natural source:   Common Name: C. elegans   Taxonomy ID: 6239   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Caenorhabditis elegans

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pGEX-6P

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GPLGSAAEESWTMRCHCGMD HGDGDTIECEGCKTWQHMAC MGLTLKSNTSKYKCEMCLPR RLPVSKAEAAREQERILNRL RAAARKQKRKSE
entity_2: ARTKQTARKSTGGKAPRKQK

Data sets:
Data typeCount
13C chemical shifts371
15N chemical shifts86
1H chemical shifts559

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SET-9/26 PHD domain1
2H3K4me32
3Zn+2, 13
4Zn+2, 23

Entities:

Entity 1, SET-9/26 PHD domain 92 residues - Formula weight is not available

1   GLYPROLEUGLYSERALAALAGLUGLUSER
2   TRPTHRMETARGCYSHISCYSGLYMETASP
3   HISGLYASPGLYASPTHRILEGLUCYSGLU
4   GLYCYSLYSTHRTRPGLNHISMETALACYS
5   METGLYLEUTHRLEULYSSERASNTHRSER
6   LYSTYRLYSCYSGLUMETCYSLEUPROARG
7   ARGLEUPROVALSERLYSALAGLUALAALA
8   ARGGLUGLNGLUARGILELEUASNARGLEU
9   ARGALAALAALAARGLYSGLNLYSARGLYS
10   SERGLU

Entity 2, H3K4me3 20 residues - Formula weight is not available

1   ALAARGTHRLYSGLNTHRALAARGLYSSER
2   THRGLYGLYLYSALAPROARGLYSGLNLYS

Entity 3, Zn+2, 1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: SET-9/26 PHD finger, [U-98% 13C; U-98% 15N], 0.5 mM; H3K4me3 (Lys4 is tri-methylated) 2.5 mM; sodium chloride 50 mM; sodium phosphate 10 mM; TCEP.HCL 1 mM

sample_conditions_1: ionic strength: 0.08 M; pH: 7.2; 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 CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
15N-resolved [1H, 1H]-NOESYsample_1isotropicsample_conditions_1
3D 13Cali-resolved [1H, 1H]-NOESYsample_1isotropicsample_conditions_1
3D 13Caro-resolved [1H, 1H]-NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.7 - collection, data analysis, processing

CARA v1.5.5 - chemical shift assignment, data analysis

NMRPipe - processing

NMR spectrometers:

  • Bruker AVANCE III 800 MHz

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