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BMRB Entry 16491

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16491
MolProbity Validation Chart

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Title: Solution structure of peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with Cycloheximide-N-ethylethanoate. Seattle Structure Genomics Center for Infectious Disease (SSGCID)

Deposition date: 2009-09-11 Original release date: 2009-09-29

Authors: Zheng, Suxin; Leeper, Thomas; Varani, Gabriele

Citation: Zheng, Suxin; Leeper, Thomas; Varani, Gabriele. "Solution structure of peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with Cycloheximide-N-ethylethanoate"  To be Published ., .-..

Assembly members:
entity_1, polymer, 117 residues, 12239.810 Da.
JZF, non-polymer, 367.437 Da.

Natural source:   Common Name: Burkholderia pseudomallei   Taxonomy ID: 28450   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Burkholderia pseudomallei

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

Entity Sequences (FASTA):
entity_1: GPGSMTVVTTESGLKYEDLT EGSGAEARAGQTVSVHYTGW LTDGQKFDSSKDRNDPFAFV LGGGMVIKGWDEGVQGMKVG GVRRLTIPPQLGYGARGAGG VIPPNATLVFEVELLDV

Data sets:
Data typeCount
13C chemical shifts325
15N chemical shifts116
1H chemical shifts788

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1peptidyl-prolyl cis-trans isomerase1
2Cycloheximide-N-ethylethanoate2

Entities:

Entity 1, peptidyl-prolyl cis-trans isomerase 117 residues - 12239.810 Da.

1   GLYPROGLYSERMETTHRVALVALTHRTHR
2   GLUSERGLYLEULYSTYRGLUASPLEUTHR
3   GLUGLYSERGLYALAGLUALAARGALAGLY
4   GLNTHRVALSERVALHISTYRTHRGLYTRP
5   LEUTHRASPGLYGLNLYSPHEASPSERSER
6   LYSASPARGASNASPPROPHEALAPHEVAL
7   LEUGLYGLYGLYMETVALILELYSGLYTRP
8   ASPGLUGLYVALGLNGLYMETLYSVALGLY
9   GLYVALARGARGLEUTHRILEPROPROGLN
10   LEUGLYTYRGLYALAARGGLYALAGLYGLY
11   VALILEPROPROASNALATHRLEUVALPHE
12   GLUVALGLULEULEUASPVAL

Entity 2, Cycloheximide-N-ethylethanoate - C19 H29 N O6 - 367.437 Da.

1   JZF

Samples:

sample_2: entity_1, [U-100% 15N], 0.6~1.2 mM

sample_3: entity_1, [U-100% 13C; U-100% 15N], 0.6~1.2 mM

sample_4: entity_1, [U-100% 15N], 0.6~1.2 mM

sample_1: entity_1, [U-100% 13C; U-100% 15N], 0.6~1.2 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-15N TOCSYsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

CYANA v2.1, P.GUNTERT ET AL. - refinement

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

ANALYSIS, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 600 MHz

Related Database Links:

BMRB 16406 17151
PDB
EMBL CAH39299 CDU31864 CFB51428 CFD89802 CFD92609
GB ABA51599 ABC34056 ABN85861 ABN94560 AFI70186
REF WP_004525093 WP_004537279 WP_009895623 WP_010110204 WP_010120234

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