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Biological Magnetic Resonance Data Bank


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BMRB Entry 17739

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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/BMR17739
MolProbity Validation Chart

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Title: Solution NMR structure of HopABPph1448_220_320 from Pseudomonas syringae pv. phaseolicola str. 1448A, Midwest Center for Structural Genomics target APC40132.4 and Northeast Structural Genomics Consortium target PsT3A   PubMed: 22191472

Deposition date: 2011-06-28 Original release date: 2011-07-18

Authors: Wu, Bin; Yee, Adelinda; Houliston, Scott; Semesi, Anthony; Garcia, Maite; Singer, Alexander; Savchenko, Alexei; Arrowsmith, Cheryl

Citation: Singer, Alex; Wu, Bin; Yee, Adelinda; Houliston, Scott; Xu, Xiaohui; Cui, Hong; Skarina, Tatiana; Garcia, Maite; Semesi, Anthony; Arrowsmith, Cheryl; Savchenko, Alexei. "Structural analysis of HopPmaL reveals the presence of a second adaptor domain common to the HopAB family of Pseudomonas syringae type III effectors."  Biochemistry 51, 1-3 (2012).

Assembly members:
HopAB1Pph1448_220_320, polymer, 101 residues, 11275.805 Da.

Natural source:   Common Name: g-proteobacteria   Taxonomy ID: 264730   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Pseudomonas Pseudomonas savastanoi

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

Entity Sequences (FASTA):
HopAB1Pph1448_220_320: QGLDLESARLASAARHNHSA NQTNEALRRLTQEGVDMERL RTSLGRYIMSLEPLPPDLRR ALESVGINPFIPEELSLVDH PVLNFSAALNRMLASRQTTT N

Data sets:
Data typeCount
13C chemical shifts388
15N chemical shifts90
1H chemical shifts657

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1HopABPph1448_220_3201

Entities:

Entity 1, HopABPph1448_220_320 101 residues - 11275.805 Da.

1   GLNGLYLEUASPLEUGLUSERALAARGLEU
2   ALASERALAALAARGHISASNHISSERALA
3   ASNGLNTHRASNGLUALALEUARGARGLEU
4   THRGLNGLUGLYVALASPMETGLUARGLEU
5   ARGTHRSERLEUGLYARGTYRILEMETSER
6   LEUGLUPROLEUPROPROASPLEUARGARG
7   ALALEUGLUSERVALGLYILEASNPROPHE
8   ILEPROGLUGLULEUSERLEUVALASPHIS
9   PROVALLEUASNPHESERALAALALEUASN
10   ARGMETLEUALASERARGGLNTHRTHRTHR
11   ASN

Samples:

sample_1: HopAB1Pph1448_220_320, [U-100% 13C; U-100% 15N], 1 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; zinc sulphate 10 uM; DTT, [U-100% 2H], 10 mM; NaN3 0.01%; benzamidine 10 mM; inhibitor cocktail 1 x; H2O 90%; D2O 10%

sample_2: HopAB1Pph1448_220_320, [U-7% 13C; U-100% 15N], 0.2 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; zinc sulphate 10 uM; DTT, [U-100% 2H], 10 mM; NaN3 0.01%; benzamidine 10 mM; inhibitor cocktail 1 x; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 300 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

MDDGUI v1.0, Gutmanas, Arrowsmith - processing

SPARKY v3.95, Goddard - data analysis

FMCGUI v2.4, Lemak, Arrowsmith - chemical shift assignment, data analysis

FAWN v1.0, Lemak, Arrowsmith - chemical shift assignment

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

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

AutoStruct, Huang, Tejero, Powers and Montelione - NMR structure quality assessment

PSVS, Bhattacharya and Montelione - NMR structure quality assessment

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

PDB
EMBL CAD29302 CAM12730
GB AAD47203 AAV68746 AAZ37972 EFW77542 EGH05285
REF WP_011282445 WP_032074514 WP_032701278 WP_032706902 WP_044320005
SP Q48B61 Q8RK09 Q9RBW3

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts