BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30066

Title: PigG holo

Authors: Jaremko, M.; Lee, D.; Burkart, M.

Citation: Jaremko, M.; Lee, D.; Burkart, M.. "PigG holo"  . ., .-..

Assembly members:
entity_1, polymer, 89 residues, 9787.098 Da.
entity_PNS, non-polymer, 358.348 Da.

Natural source:   Common Name: Serratia sp.   Taxonomy ID: 616   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Serratia sp.

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

Entity Sequences (FASTA):
entity_1: MLESKLINHIATQFLDGEKD GLDSQTPLFELNIVDSAAIF DLVDFLRQESKVSIGMQEIH PANFATVQSMVALVQRLKAH PEQGGAALE

Data sets:
Data typeCount
13C chemical shifts382
15N chemical shifts95
1H chemical shifts639

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_PNS2

Entities:

Entity 1, entity_1 89 residues - 9787.098 Da.

1   METLEUGLUSERLYSLEUILEASNHISILE
2   ALATHRGLNPHELEUASPGLYGLULYSASP
3   GLYLEUASPSERGLNTHRPROLEUPHEGLU
4   LEUASNILEVALASPSERALAALAILEPHE
5   ASPLEUVALASPPHELEUARGGLNGLUSER
6   LYSVALSERILEGLYMETGLNGLUILEHIS
7   PROALAASNPHEALATHRVALGLNSERMET
8   VALALALEUVALGLNARGLEULYSALAHIS
9   PROGLUGLNGLYGLYALAALALEUGLU

Entity 2, entity_PNS - C11 H23 N2 O7 P S - 358.348 Da.

1   PNS

Samples:

sample_1: PigG, [U-13C; U-15N], 1.5 mM; KPi 50 mM; TCEP 5 mM; sodium azide .1%

sample_conditions_1: ionic strength: 50 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Varian vs800 800 MHz

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