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BMRB: 4879

1IJA

Assignment of the 1H, 13C and 15N Signals of Sortase

Authors

Ilangovan, U., Iwahara, J., Ton-That, H., Schneewind, O., Clubb, R.

Assembly

Sortase

Entity

1. Sortase (polymer, Thiol state: all free), 148 monomers, 16727.78 Da Detail

MQAKPQIPKD KSKVAGYIEI PDADIKEPVY PGPATPEQLN RGVSFAEENE SLDDQNISIA GHTFIDRPNY QFTNLKAAKK GSMVYFKVGN ETRKYKMTSI RDVKPTDVGV LDEQKGKDKQ LTLITCDDYN EKTGVWEKRK IFVATEVK

Formula weight

16727.78 Da

Source organism

Staphylococcus aureus

Exptl. method

NMR

Refine. method

distance geometry and simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 91.8 %, Completeness (bb): 97.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.8 % (1619 of 1763)	88.9 % (826 of 929)	94.9 % (645 of 680)	96.1 % (148 of 154)
Backbone	97.1 % (845 of 870)	97.6 % (289 of 296)	96.8 % (421 of 435)	97.1 % (135 of 139)
Sidechain	88.4 % (912 of 1032)	84.8 % (537 of 633)	94.3 % (362 of 384)	86.7 % (13 of 15)
Aromatic	89.5 % (102 of 114)	89.5 % (51 of 57)	89.3 % (50 of 56)	100.0 % (1 of 1)
Methyl	97.3 % (142 of 146)	97.3 % (71 of 73)	97.3 % (71 of 73)

1. Staphyloccal Sortase

MQAKPQIPKD KSKVAGYIEI PDADIKEPVY PGPATPEQLN RGVSFAEENE SLDDQNISIA GHTFIDRPNY QFTNLKAAKK GSMVYFKVGN ETRKYKMTSI RDVKPTDVGV LDEQKGKDKQ LTLITCDDYN EKTGVWEKRK IFVATEVK

Show sample condition

Sample

Temperature 308 (±1) K

#	Name	Concentration
1	Staphyloccal Sortase	2.5 mM
2	Tris	50 mM
3	NaCl	100 mM
4	CaCl2	10 mM
5	DTT	3 mM
6	D2O	7 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	TMS	methyl protons	external	indirect	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	TMS	methyl protons	external	indirect	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	TMS	methyl protons	external	indirect	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.09 ppm, Outliers: 4 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	TMS	methyl protons	external	indirect	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.47 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 25 models in PDB: 1IJA, Strand ID: A Detail

Release date

2001-04-25

Citation

Assignment of the 1H, 13C and 15N signals of Sortase
Ilangovan, U., Iwahara, J., Ton-That, H., Schneewind, O., Clubb, R.T.
J. Biomol. NMR (2001), 19, 379-380, PubMed 11370786 , DOI: , Abstract

Related entities 1. Sortase, : 1 : 1 : 6 : 27 entities Detail

Experiments performed 18 experiments Detail

1 2D 1H-13C CT-HSQC