BMRB Entry 52149

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52149

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Title:
Resonance assignments of LytM catalytic domain (residues 185-316)
Deposition date:
2023-09-26
Original release date:
2026-02-25
Authors:
Tossavainen, Helena; Pitkanen, Ilona; Antenucci, Lina; Thapa, Chandan; Permi, Perttu
Citation:

Citation: Tossavainen, Helena; Pitkanen, Ilona; Antenucci, Lina; Thapa, Chandan; Permi, Perttu. "Chemical shift assignments of the catalytic domain of Staphylococcus aureus LytM"  Biomol. NMR Assign. 18, 1-5 (2024).
PubMed: 37914968

Assembly members:

Assembly members:
entity_1, polymer, 134 residues, Formula weight is not available
entity_ZN, non-polymer, 65.409 Da.

Natural source:

Natural source:   Common Name: Staphylococcus aureus   Taxonomy ID: 1280   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Staphylococcus aureus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pGEX-2T

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHAKDASWLTSRKQLQPYG QYHGGGAHYGVDYAMPENSP VYSLTDGTVVQAGWSNYGGG NQVTIKEANSNNYQWYMHNN RLTVSAGDKVKAGDQIAYSG STGNSTAPHVHFQRMSGGIG NQYAVDPTSYLQSR

Data sets:
Data typeCount
13C chemical shifts1061
15N chemical shifts151
1H chemical shifts1505

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CAT1
2Zn2+2

Entities:

Entity 1, CAT 134 residues - Formula weight is not available

N-terminal residues GSHM are not part of the native protein sequence

1   GLYSERHISALALYSASPALASERTRPLEU
2   THRSERARGLYSGLNLEUGLNPROTYRGLY
3   GLNTYRHISGLYGLYGLYALAHISTYRGLY
4   VALASPTYRALAMETPROGLUASNSERPRO
5   VALTYRSERLEUTHRASPGLYTHRVALVAL
6   GLNALAGLYTRPSERASNTYRGLYGLYGLY
7   ASNGLNVALTHRILELYSGLUALAASNSER
8   ASNASNTYRGLNTRPTYRMETHISASNASN
9   ARGLEUTHRVALSERALAGLYASPLYSVAL
10   LYSALAGLYASPGLNILEALATYRSERGLY
11   SERTHRGLYASNSERTHRALAPROHISVAL
12   HISPHEGLNARGMETSERGLYGLYILEGLY
13   ASNGLNTYRALAVALASPPROTHRSERTYR
14   LEUGLNSERARG

Entity 2, Zn2+ - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: CAT, [U-13C; U-15N], 0.4 mM; sodium phosphate 20 mM; NaCl 50 mM

sample_2: CAT, [U-13C; U-15N], 0.4 mM; sodium phosphate 20 mM; NaCl 50 mM

sample_conditions_1: ionic strength: 0.11 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D Methyl TOCSYsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D intraHNCOsample_1isotropicsample_conditions_1
2D (HB)CB(CGCD)HDsample_1isotropicsample_conditions_1
2D (HB)CB(CGCDCE)HEsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_2isotropicsample_conditions_1

Software:

TOPSPIN - collection

ANALYSIS - chemical shift assignment

NMR spectrometers:

  • Bruker Avance III HD 800 MHz

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