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 18278

Title: Solution Structure of FKBP12 from Aedes aegypti   PubMed: 22806993

Authors: Chakraborty, Goutam; Shin, Joon

Citation: Chakraborty, Goutam; Shin, Joon; Nguyen, Q.; Harikishore, A.; Baek, K.; Yoon, H.. "Solution structure of FK506-binding protein 12 from Aedes aegypti"  Proteins 80, 2476-2481 (2012).

Assembly members:
FKBP12, polymer, 108 residues, 11553.165 Da.

Natural source:   Common Name: flies   Taxonomy ID: 7159   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Aedes aegypti

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

Entity Sequences (FASTA):
FKBP12: MGVQVVTLAAGDEATYPKAG QVAVVHYTGTLADGKVFDSS RTRGKPFRFTVGRGEVIRGW DEGVAQMSVGQRAKLVCSPD YAYGSRGHPGVIPPNATLTF DVELLRVE

Data sets:
Data typeCount
13C chemical shifts423
15N chemical shifts104
1H chemical shifts715

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1FKBP12 from Aedes aegypti1

Entities:

Entity 1, FKBP12 from Aedes aegypti 108 residues - 11553.165 Da.

1   METGLYVALGLNVALVALTHRLEUALAALA
2   GLYASPGLUALATHRTYRPROLYSALAGLY
3   GLNVALALAVALVALHISTYRTHRGLYTHR
4   LEUALAASPGLYLYSVALPHEASPSERSER
5   ARGTHRARGGLYLYSPROPHEARGPHETHR
6   VALGLYARGGLYGLUVALILEARGGLYTRP
7   ASPGLUGLYVALALAGLNMETSERVALGLY
8   GLNARGALALYSLEUVALCYSSERPROASP
9   TYRALATYRGLYSERARGGLYHISPROGLY
10   VALILEPROPROASNALATHRLEUTHRPHE
11   ASPVALGLULEULEUARGVALGLU

Samples:

sample_1: FKBP12, [U-15N], 0.5 mM; H2O 90%; D2O 10%

sample_2: FKBP12, [U-100% 13C; U-100% 15N], 0.5 mM; H2O 90%; D2O 10%

sample_3: FKBP12, [U-100% 13C; U-100% 15N], 0.5 mM; D2O 100%

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HN(CA)COsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_3isotropicsample_conditions_1
3D 1H-13C NOESYsample_3isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

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

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

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

Molmol, Koradi, Billeter and Wuthrich - Structure Visualization

NMR spectrometers:

  • Bruker Avance 700 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB
GB ABF18244 EAT40395 EJY57709 EJY57710
REF XP_001652969 XP_011493401 XP_011493402