BMRB Entry 19611

Title:
Enzymatic cyclisation of kalata B1 using sortase A
Deposition date:
2013-11-12
Original release date:
2014-01-21
Authors:
Jia, Xinying; Schroeder, Christina
Citation:

Citation: Jia, Xinying; Kwon, Soohyun; Wang, Ching-I Anderson; Huang, Yen-Hua; Chan, Lai; Tan, Chia Chia; Rosengren, K. Johan; Mulvenna, Jason; Schroeder, Christina; Craik, David. "Semienzymatic cyclization of disulfide-rich peptides using Sortase A."  J. Biol. Chem. 289, 6627-6638 (2014).
PubMed: 24425873

Assembly members:

Assembly members:
entity, polymer, 33 residues, 3189.603 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GGGCGETCVGGTCNTPGCTC SWPVCTRNGLPVT

Data sets:
Data typeCount
13C chemical shifts74
1H chemical shifts184

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Enzymatic cyclisation of kalata B1 using sortase A1

Entities:

Entity 1, Enzymatic cyclisation of kalata B1 using sortase A 33 residues - 3189.603 Da.

1   GLYGLYGLYCYSGLYGLUTHRCYSVALGLY
2   GLYTHRCYSASNTHRPROGLYCYSTHRCYS
3   SERTRPPROVALCYSTHRARGASNGLYLEU
4   PROVALTHR

Samples:

Kal-sortase: Kal-sortase 1 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.1; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYKal-sortaseisotropicsample_conditions_1
2D 1H-1H TOCSYKal-sortaseisotropicsample_conditions_1
2D DQF-COSYKal-sortaseisotropicsample_conditions_1
2D 1H-1H COSYKal-sortaseisotropicsample_conditions_1
2D 1H-13C HSQCKal-sortaseisotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

XEASY, Bartels et al. - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

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

Molmol, Koradi, Billeter and Wuthrich - data analysis

MolProbity, Richardson - data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 16235 18506 18536
PDB
GB AAL05477 ACI29319 ADJ17473
PIR A56283
SP P56254 P85185
AlphaFold P85185 P56254