BMRB Entry 18572

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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/BMR18572
MolProbity Validation Chart

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Title:
solution structure of hemi-Mg-bound Phl p 7
Deposition date:
2012-07-05
Original release date:
2012-10-01
Authors:
Henzl, Michael; Tanner, John
Citation:

Citation: Henzl, Michael; Sirianni, Arthur; Wycoff, Wei; Tan, Anmin; Tanner, John. "Solution structures of polcalcin Phl p 7 in three ligation states: Apo-, hemi-Mg(2+) -bound, and fully Ca(2+) -bound."  Proteins 81, 300-315 (2013).
PubMed: 23011803

Assembly members:

Assembly members:
Phl_p_7, polymer, 77 residues, 8553.554 Da.
MAGNESIUM ION, non-polymer, 24.305 Da.

Natural source:

Natural source:   Common Name: monocots   Taxonomy ID: 15957   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Phleum pratense

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Phl_p_7: ADDMERIFKRFDTNGDGKIS LSELTDALRTLGSTSADEVQ RMMAEIDTDGDGFIDFNEFI SFCNANPGLMKDVAKVF

Data sets:
Data typeCount
13C chemical shifts299
15N chemical shifts79
1H chemical shifts510

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Phl p 71
2MAGNESIUM ION2

Entities:

Entity 1, Phl p 7 77 residues - 8553.554 Da.

1   ALAASPASPMETGLUARGILEPHELYSARG
2   PHEASPTHRASNGLYASPGLYLYSILESER
3   LEUSERGLULEUTHRASPALALEUARGTHR
4   LEUGLYSERTHRSERALAASPGLUVALGLN
5   ARGMETMETALAGLUILEASPTHRASPGLY
6   ASPGLYPHEILEASPPHEASNGLUPHEILE
7   SERPHECYSASNALAASNPROGLYLEUMET
8   LYSASPVALALALYSVALPHE

Entity 2, MAGNESIUM ION - Mg - 24.305 Da.

1   MG

Samples:

sample_1: Phl p 7, [U-98% 13C; U-98% 15N], 3 ± 0.3 mM; sodium chloride 150 ± 1.5 mM; MES 10 ± 0.1 mM; D2O, [U-99% 2H], 10 ± 0.5 %; H2O, natural abuncance, 90 ± 0.5 %; sodium azide 0.1 ± 0.01 %; magnesium chloride 5 ± 0.1 mM; EGTA 1 ± 0.02 mM

sample_conditions_1: ionic strength: 180 mM; pH: 6.0; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D HBCBCGCDHDsample_1isotropicsample_conditions_1
2D HBCBCGCDCEHEsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCACOCANHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1

Software:

VNMR, Varian - collection

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

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

TALOS, Cornilescu, Delaglio and Bax - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 18571 18573
PDB
DBJ BAD13150 BAD13211 BAF24424 BAK07986 BAT06698
EMBL CAA76887
GB AEW67317 AEW67318 AEW67319 EAZ08013 EAZ43661
REF NP_001062510 XP_006660388 XP_010237791
SP O82040
AlphaFold O82040

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