BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18749

Title: Ligase 10C   PubMed: 23222886

Authors: Chao, Fa-An; Morelli, Aleardo; Haugner, John; Churchfield, Lewis; Hagmann, Leonardo; Shi, Lei; Masterson, Larry; Sarangi, Ritimukta; Veglia, Gianluigi; Seelig, Burckhard

Citation: Chao, Fa-An; Morelli, Aleardo; Iii, John C Haugner; Churchfield, Lewis; Hagmann, Leonardo; Shi, Lei; Masterson, Larry; Sarangi, Ritimukta; Veglia, Gianluigi; Seelig, Burckhard. "Structure and dynamics of a primordial catalytic fold generated by in vitro evolution."  Nat. Chem. Biol. 9, 81-83 (2013).

Assembly members:
entity, polymer, 87 residues, 9795.925 Da.
ZINC ION, non-polymer, 65.409 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

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

Entity Sequences (FASTA):
entity: MGAPVPYPDPLEPRGGKHIC AICGNNAEDYKHTDMDLTYT DRDYKNCESYHKCSDLCQYC RYQKDLAIHHQHHHGGSMGM SGSGTGY

Data sets:
Data typeCount
13C chemical shifts227
15N chemical shifts61
1H chemical shifts320

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Ligase 10C1
2Zinc Ion2

Entities:

Entity 1, Ligase 10C 87 residues - 9795.925 Da.

1   METGLYALAPROVALPROTYRPROASPPRO
2   LEUGLUPROARGGLYGLYLYSHISILECYS
3   ALAILECYSGLYASNASNALAGLUASPTYR
4   LYSHISTHRASPMETASPLEUTHRTYRTHR
5   ASPARGASPTYRLYSASNCYSGLUSERTYR
6   HISLYSCYSSERASPLEUCYSGLNTYRCYS
7   ARGTYRGLNLYSASPLEUALAILEHISHIS
8   GLNHISHISHISGLYGLYSERMETGLYMET
9   SERGLYSERGLYTHRGLYTYR

Entity 2, Zinc Ion - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: entity, [U-99% 15N], 1 mM; H2O 90%; D2O 10%; NaCl 150 mM; HEPES 20 mM; beta-mercaptoenthanol 10 mM

sample_2: entity, [U-99% 13C; U-99% 15N], 1 mM; H2O 90%; D2O 10%; NaCl 150 mM; HEPES 20 mM; beta-mercaptoenthanol 10 mM

sample_conditions_1: ionic strength: 0.16 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N CPMGsample_1isotropicsample_conditions_1
2D 1H-15N T1sample_1isotropicsample_conditions_1
2D 1H-15N T2sample_1isotropicsample_conditions_1
2D 1H-15N ssNOEsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 700 MHz
  • Varian INOVA 600 MHz

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