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BMRB: 18653

2LWY

Solution Structure of Bacterial Intein-Like domain from Clostridium thermocellum

Authors

Aranko, A., Oeemig, J.S., Iwai, H.

Assembly

Bacterial Intein-Like domain from Clostridium thermocellum

Entity

1. Bacterial Intein-Like domain from Clostridium thermocellum (polymer, Thiol state: not present), 138 monomers, 15277.30 Da Detail

SMKAFVAGTM ILTATGLVAI ENIKAGDKVI ATNPETFEVA EKTVLETYVR ETTELLHLTI GGEVIKTTFD HPFYVKDVGF VEAGKLQVGD KLLDSRGNVL VVEEKKLEIA DKPVKVYNFK VDDFHTYHVG DNEVLVHN

Formula weight

15277.3 Da

Source organism

Acetivibrio thermocellus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 94.8 %, Completeness (bb): 98.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.8 % (1517 of 1600)	94.7 % (773 of 816)	94.4 % (606 of 642)	97.2 % (138 of 142)
Backbone	98.1 % (806 of 822)	97.2 % (275 of 283)	98.8 % (399 of 404)	97.8 % (132 of 135)
Sidechain	92.5 % (838 of 906)	93.4 % (498 of 533)	91.3 % (334 of 366)	85.7 % (6 of 7)
Aromatic	61.5 % (75 of 122)	70.5 % (43 of 61)	52.5 % (32 of 61)
Methyl	99.0 % (198 of 200)	99.0 % (99 of 100)	99.0 % (99 of 100)

1. CthBIL4

SMKAFVAGTM ILTATGLVAI ENIKAGDKVI ATNPETFEVA EKTVLETYVR ETTELLHLTI GGEVIKTTFD HPFYVKDVGF VEAGKLQVGD KLLDSRGNVL VVEEKKLEIA DKPVKVYNFK VDDFHTYHVG DNEVLVHN

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Concentration
1	CthBIL4	[U-99% 13C; U-99% 15N]	1.2 mM
2	potassium phosphate	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbon	0.0 ppm	na	indirect	0.2514
¹H	water	protons	4.75 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	117.8 ppm	na	direct	1.0

Referencing offset: -0.11 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbon	0.0 ppm	na	indirect	0.2514
¹H	water	protons	4.75 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	117.8 ppm	na	direct	1.0

Referencing offset: -0.11 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbon	0.0 ppm	na	indirect	0.2514
¹H	water	protons	4.75 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	117.8 ppm	na	direct	1.0

Referencing offset: -0.04 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbon	0.0 ppm	na	indirect	0.2514
¹H	water	protons	4.75 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	117.8 ppm	na	direct	1.0

Referencing offset: 0.7 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2013-05-05

Citation

Structural basis for protein trans-splicing by a bacterial intein-like domain--protein ligation without nucleophilic side chains
Aranko, A., Oeemig, J.S., Iwai, H.
FEBS J. (2013), 280, 3256-3269, PubMed 23621571 , DOI 10.1111/febs.12307 , Abstract

Related entities 1. Bacterial Intein-Like domain from Clostridium thermocellum, : 1 : 10 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC