BMRB: 19611

Enzymatic cyclisation of kalata B1 using sortase A

Authors

Jia, X., Schroeder, C.I.

Assembly

Enzymatic cyclisation of kalata B1 using sortase A

Entity

1. Enzymatic cyclisation of kalata B1 using sortase A (polymer), 33 monomers, 3188.594 Da Detail

GGGCGETCVG GTCNTPGCTC SWPVCTRNGL PVT

Formula weight

3188.594 Da

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 83.7 %, Completeness (bb): 77.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	83.7 % (231 of 276)	100.0 % (156 of 156)	62.5 % (75 of 120)
Backbone	77.2 % (125 of 162)	100.0 % (71 of 71)	59.3 % (54 of 91)
Sidechain	94.2 % (131 of 139)	100.0 % (85 of 85)	85.2 % (46 of 54)
Aromatic	54.5 % (6 of 11)	100.0 % (6 of 6)	0.0 % (0 of 5)
Methyl	89.3 % (25 of 28)	100.0 % (14 of 14)	78.6 % (11 of 14)

1. entity

GGGCGETCVG GTCNTPGCTC SWPVCTRNGL PVT

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1, Details Kal-sortase was purified from HPLC, lyophilized and dissolved in 90% H20/10% D2O, pH 6.1

#	Name	Isotope labeling	Type	Concentration
1	Kal-sortase	natural abundance		1 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

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Calculated from 20 models in PDB: 2MH1, Strand ID: A Detail

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Release date

2014-01-20

Citation

Semienzymatic cyclization of disulfide-rich peptides using Sortase A
Jia, X., Kwon, S., Wang, C., Huang, Y., Chan, L.Y., Tan, C., Rosengren, K., Mulvenna, J.P., Schroeder, C.I., Craik, D.J.
J. Biol. Chem. (2014), 289, 6627-6638, PubMed 24425873 , DOI 10.1074/jbc.M113.539262 , Abstract

Related entities 1. Enzymatic cyclisation of kalata B1 using sortase A, : 1 : 5 : 36 entities Detail

Experiments performed 5 experiments Detail