BMRB Entry 15256

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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/BMR15256
MolProbity Validation Chart

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Title:
Antheraea polyphemus pheromone-binding protein 1: structure and assignments at pH 4.5.
Deposition date:
2007-05-20
Original release date:
2007-10-29
Authors:
Damberger, Fred; Wuthrich, Kurt; Leal, Walter; Ishida, Yuko
Citation:

Citation: Damberger, Fred; Ishida, Yuko; Leal, Walter; Wuthrich, Kurt. "Structural basis of ligand binding and release in insect pheromone-binding proteins: NMR structure of Antheraea polyphemus PBP1 at pH 4.5"  J. Mol. Biol. 373, 811-819 (2007).
PubMed: 17884092

Assembly members:

Assembly members:
ApolPBP singlechain, polymer, 142 residues, 15797.063 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: 7120   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Antheraea polyphemus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET22b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ApolPBP singlechain: SPEIMKNLSNNFGKAMDQCK DELSLPDSVVADLYNFWKDD YVMTDRLAGCAINCLATKLD VVDPDGNLHHGNAKDFAMKH GADETMAQQLVDIIHGCEKS APPNDDKCMKTIDVAMCFKK EIHKLNWVPNMDLVIGEVLA EV

Data sets:
Data typeCount
13C chemical shifts620
15N chemical shifts150
1H chemical shifts997

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1singlechain1

Entities:

Entity 1, singlechain 142 residues - 15797.063 Da.

1   SERPROGLUILEMETLYSASNLEUSERASN
2   ASNPHEGLYLYSALAMETASPGLNCYSLYS
3   ASPGLULEUSERLEUPROASPSERVALVAL
4   ALAASPLEUTYRASNPHETRPLYSASPASP
5   TYRVALMETTHRASPARGLEUALAGLYCYS
6   ALAILEASNCYSLEUALATHRLYSLEUASP
7   VALVALASPPROASPGLYASNLEUHISHIS
8   GLYASNALALYSASPPHEALAMETLYSHIS
9   GLYALAASPGLUTHRMETALAGLNGLNLEU
10   VALASPILEILEHISGLYCYSGLULYSSER
11   ALAPROPROASNASPASPLYSCYSMETLYS
12   THRILEASPVALALAMETCYSPHELYSLYS
13   GLUILEHISLYSLEUASNTRPVALPROASN
14   METASPLEUVALILEGLYGLUVALLEUALA
15   GLUVAL

Samples:

sample_1: entity, [U-99% 13C; U-99% 15N], 0.9 mM; H2O 93%; D2O 7%; potassium phosphate 50 mM; sodium azide 2 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 4.50; pressure: 1 atm; temperature: 293 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 C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1

Software:

CARA v1.8, Keller and Wuthrich - chemical shift assignment

ATHNOS-CANDID, Herrmann, Guntert and Wuthrich - constraint collection, constraint combination, NOE assignment, peak picking

DYANA, Guntert, Braun and Wuthrich - structure calculation

Molmol v2.2K, Koradi, Billeter and Wuthrich - data analysis

OPALp v1.2, Luginbuhl, Guntert, Billeter and Wuthrich - refinement

NMR spectrometers:

  • Bruker Avance 900 MHz
  • Bruker DRX 750 MHz
  • Bruker DRX 500 MHz

Related Database Links:

PDB
EMBL CAA35592
GB AAB49502
PRF 1515253A
SP P20797
AlphaFold P20797

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