BMRB Entry 30993

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30993
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Solution structure for Bartonella henselae BamE, a component of the beta-barrel assembly machinery complex. Seattle Structural Genomics Center for Infectious Disease target BaheA.17605.a
Deposition date:
2022-02-10
Original release date:
2022-02-25
Authors:
Buchko, G.; Seattle Structural Genomics Center for Infectious Disease (SSGCID), .
Citation:

Citation: Buchko, G.; van Voorhis, W.; Myler, P.. "Structural characterization of Bartonella henselae BamE, a component of the beta-barrel assembly machinery complex"  .

Assembly members:

Assembly members:
entity_1, polymer, 147 residues, 16482.734 Da.

Natural source:

Natural source:   Common Name: Bartonella henselae str. Houston-1   Taxonomy ID: 283166   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bartonella henselae

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MAHHHHHHMGTLEAQTQGPG SMSSGSSQIYKEGYILDKNA LDSISIGSSQEQVILALGTP SLKTKYDNEVFYYISQTRYR GMQFMKTKIIDRKVLAIYFN KNDQVTKIANYGLQDGQVFD FIAQTTPTATKEQPLLIQII KGPANLP

Data sets:
Data typeCount
13C chemical shifts480
15N chemical shifts117
1H chemical shifts662

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 147 residues - 16482.734 Da.

1   METALAHISHISHISHISHISHISMETGLY
2   THRLEUGLUALAGLNTHRGLNGLYPROGLY
3   SERMETSERSERGLYSERSERGLNILETYR
4   LYSGLUGLYTYRILELEUASPLYSASNALA
5   LEUASPSERILESERILEGLYSERSERGLN
6   GLUGLNVALILELEUALALEUGLYTHRPRO
7   SERLEULYSTHRLYSTYRASPASNGLUVAL
8   PHETYRTYRILESERGLNTHRARGTYRARG
9   GLYMETGLNPHEMETLYSTHRLYSILEILE
10   ASPARGLYSVALLEUALAILETYRPHEASN
11   LYSASNASPGLNVALTHRLYSILEALAASN
12   TYRGLYLEUGLNASPGLYGLNVALPHEASP
13   PHEILEALAGLNTHRTHRPROTHRALATHR
14   LYSGLUGLNPROLEULEUILEGLNILEILE
15   LYSGLYPROALAASNLEUPRO

Samples:

sample_1: BA5, [U-99% 13C; U-99% 15N], 1 ± 0.2 mM; sodium chloride 100 ± 2 mM; TRIS 20 ± 0.5 mM; DTT 1 ± 0.1 mM

sample_2: BA5, [U-99% 13C; U-99% 15N], 1 ± 0.2 mM; sodium chloride 100 ± 2 mM; TRIS 20 ± 0.5 mM; DTT 1 ± 0.1 mM

sample_3: BA5, [U-10% 13C; U-99% 15N], 1 ± 0.2 mM; sodium chloride 100 ± 2 mM; TRIS 20 ± 0.5 mM; DTT 1 ± 0.1 mM

sample_conditions_1: ionic strength: 120 mM; pH: 7; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1anisotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1anisotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1anisotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1anisotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1anisotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_3anisotropicsample_conditions_1
2D 1H-15N HSQCsample_2anisotropicsample_conditions_1
3D HCCH-TOCSYsample_2anisotropicsample_conditions_1
3D 1H-15N TOCSYsample_1anisotropicsample_conditions_1
3D HNCAsample_1anisotropicsample_conditions_1
3D HNCACBsample_1anisotropicsample_conditions_1
3D C(CO)NHsample_1anisotropicsample_conditions_1
3D 1H-15N NOESYsample_1anisotropicsample_conditions_1

Software:

Felix v2007, Accelrys Software Inc. - processing

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

NMRFAM-SPARKY v1.414, NMRFAM - data analysis, peak picking

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

PSVS v1.5, Bhattacharya and Montelione - data analysis

TALOS+, Talos - data analysis

NMR spectrometers:

  • Varian VXRS 750 MHz
  • Varian VXRS 600 MHz
  • Varian VXRS 800 MHz
  • Bruker AVANCE II 750 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks