BMRB Entry 18812

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18812
MolProbity Validation Chart

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Title:
Solution structure of a DUF3349 annotated protein from Mycobacterium abscessus, MAB_3403c. Seattle Structural Genomics Center for Infectious Disease target Myab.17112.a
Deposition date:
2012-10-30
Original release date:
2012-11-30
Authors:
Buchko, Garry
Citation:

Citation: Buchko, Garry; Hewitt, Stephen; Van Voorhis, Wesley; Myler, Peter. "Evidence for further structural diversity in the DUF3349 family"  .

Assembly members:

Assembly members:
entity, polymer, 112 residues, 13880.615 Da.

Natural source:

Natural source:   Common Name: Mycobacterium abscessus   Taxonomy ID: 36809   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium abscessus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: AVA0421

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MAHHHHHHMGTLEAQTQGPG SPEGVPPTDRFPLLALLRRT LTEEQVQEVVAKLTDPESSA QIDGVVSKDEIEKFIADVTK DEPTAQDISRVASRLAAGGW PLAGVDSTALNA

Data sets:
Data typeCount
13C chemical shifts376
15N chemical shifts96
1H chemical shifts593

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DUF33491

Entities:

Entity 1, DUF3349 112 residues - 13880.615 Da.

1   METALAHISHISHISHISHISHISMETGLY
2   THRLEUGLUALAGLNTHRGLNGLYPROGLY
3   SERPROGLUGLYVALPROPROTHRASPARG
4   PHEPROLEULEUALALEULEUARGARGTHR
5   LEUTHRGLUGLUGLNVALGLNGLUVALVAL
6   ALALYSLEUTHRASPPROGLUSERSERALA
7   GLNILEASPGLYVALVALSERLYSASPGLU
8   ILEGLULYSPHEILEALAASPVALTHRLYS
9   ASPGLUPROTHRALAGLNASPILESERARG
10   VALALASERARGLEUALAALAGLYGLYTRP
11   PROLEUALAGLYVALASPSERTHRALALEU
12   ASNALA

Samples:

sample_1: entity, [U-99% 13C; U-99% 15N], 1.0 ± 0.2 mM; sodium chloride 100 ± 2 mM; TRIS 20 ± 1 mM; DTT 1 ± 0.1 mM

sample_2: entity, [U-99% 13C; U-99% 15N], 1.0 ± 0.2 mM; sodium chloride 100 ± 2 mM; TRIS 20 ± 1 mM; DTT 1 ± 0.1 mM

sample_conditions_1: ionic strength: 0.12 M; pH: 7.0; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D HBCBCGCDCDHDsample_1isotropicsample_conditions_1
2D HBCBCGCDCEHEsample_1isotropicsample_conditions_1
deuterium exchangesample_2isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1

Software:

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - water refinement

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

SPARKY v3.115, Goddard - data analysis, peak picking

FELIX v2007, Accelrys Software Inc. - processing

PSVS v1.3, Bhattacharya and Montelione - data analysis

TALOS v+, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 750 MHz
  • Varian INOVA 800 MHz

Related Database Links:

PDB
EMBL CAM63479 CPR31135 CPR39159 CPR58306 CPR58317
GB AIC71658 AIR34563 AIR39442 AIR42370 AIV12161
REF WP_005056636 WP_005077192 WP_052523625 YP_001704133

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