BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 15810

Title: Solution structure of uncharacterized protein PA1076 from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium (NESG) target PaT3, Ontario Center for Structural Proteomics target PA1076.

Authors: Gutmanas, Aleksandras; Lemak, Alexander; Fares, Christophe; Yee, Adelinda; Semesi, Anthony; Arrowsmith, Cheryl

Citation: Gutmanas, Aleksandras; Lemak, Alexander; Fares, Christophe; Yee, Adelinda; Semesi, Anthony; Arrowsmith, Cheryl. "Solution structure of uncharacterized protein PA1076 from Pseudomonas aeruginosa."  Not known ., .-..

Assembly members:
PA1076, polymer, 125 residues, 14233.955 Da.

Natural source:   Common Name: Pseudomonas aeruginosa   Taxonomy ID: 287   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Pseudomonas aeruginosa

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

Entity Sequences (FASTA):
PA1076: QGHMFEPGHLHLVSLPGLDQ QDINIHIRYEVRQNAESGAY VHFDMDGEIDGKPFSDSFEL PRDTAFNFASDATRVAQKHG LHPKFGAITRVHKEYDAMFE DIRAKLHAHPGEPVDLERII RHEGS

Data sets:
Data typeCount
13C chemical shifts500
15N chemical shifts102
1H chemical shifts797

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PA10761

Entities:

Entity 1, PA1076 125 residues - 14233.955 Da.

1   GLNGLYHISMETPHEGLUPROGLYHISLEU
2   HISLEUVALSERLEUPROGLYLEUASPGLN
3   GLNASPILEASNILEHISILEARGTYRGLU
4   VALARGGLNASNALAGLUSERGLYALATYR
5   VALHISPHEASPMETASPGLYGLUILEASP
6   GLYLYSPROPHESERASPSERPHEGLULEU
7   PROARGASPTHRALAPHEASNPHEALASER
8   ASPALATHRARGVALALAGLNLYSHISGLY
9   LEUHISPROLYSPHEGLYALAILETHRARG
10   VALHISLYSGLUTYRASPALAMETPHEGLU
11   ASPILEARGALALYSLEUHISALAHISPRO
12   GLYGLUPROVALASPLEUGLUARGILEILE
13   ARGHISGLUGLYSER

Samples:

sample_H2O: PA1076, [U-100% 13C; U-100% 15N], 0.7-1 mM; TRIS, [U-2H], 10 mM; sodium chloride 300 mM; sodium azide 0.01%; benzamidine 1 mM; inhibitor cocktail 1 x

sample_conditions_1: ionic strength: 300 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_H2Oisotropicsample_conditions_1
2D 1H-13C HSQCsample_H2Oisotropicsample_conditions_1
3D CBCA(CO)NHsample_H2Oisotropicsample_conditions_1
3D HBHA(CO)NHsample_H2Oisotropicsample_conditions_1
3D HNCOsample_H2Oisotropicsample_conditions_1
3D HNCAsample_H2Oisotropicsample_conditions_1
3D C(CO)NHsample_H2Oisotropicsample_conditions_1
3D H(CCO)NHsample_H2Oisotropicsample_conditions_1
3D H(C)CH-TOCSYsample_H2Oisotropicsample_conditions_1
3D (H)CCH-TOCSYsample_H2Oisotropicsample_conditions_1
3D 1H-15N NOESYsample_H2Oisotropicsample_conditions_1
3D 1H-13C NOESYsample_H2Oisotropicsample_conditions_1
3D 1H-13C aromatic NOESYsample_H2Oisotropicsample_conditions_1
3D H(C)CH-TOCSY aromaticsample_H2Oisotropicsample_conditions_1
3D (H)CCH-TOCSY aromaticsample_H2Oisotropicsample_conditions_1
T1rho arraysample_H2Oisotropicsample_conditions_1
3D IPAP E-COSY HNCOsample_H2Oisotropicsample_conditions_1
3D IPAP E-COSY HNCOsample_H2Oanisotropicsample_conditions_1

Software:

ANALYSIS v1.4, CCPN - chemical shift assignment, peak picking

MDDNMR v1.2c, V. Orekhov, I. Ibraghimov - processing

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

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

ABACUS, A. Lemak - chemical shift assignment, NOE assignment

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

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 500 MHz

Related Database Links:

PDB
DBJ BAK88798 BAP20653 BAP52231 BAQ41330 BAR69178
EMBL CAW29000 CCQ87961 CDH72383 CDH78643 CDI89206
GB AAG04465 AAT49383 ABJ10241 ABR82558 AEO76449
REF NP_249767 WP_003082140 WP_003111391 WP_003149705 WP_023099857