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BMRB: 18320

2LQM

Solution Structures of RadA intein from Pyrococcus horikoshii

Authors

Oeemig, J.S., Zhou, D., Kajander, T., Wlodawer, A., Iwai, H.

Assembly

PhoRadA intein

Entity

1. PhoRadA intein (polymer, Thiol state: not present), 174 monomers, 19895.34 Da Detail

AFARDTEVYY ENDTVPHMES IEEMYSKYAS MNGELPFDNG YAVPLDNVFV YTLDIASGEI KKTRASYIYR EKVEKLIEIK LSSGYSLKVT PSHPVLLFRD GLQWVPAAEV KPGDVVVGVR EEVLRRRIIS KGELEFHEVS SVRIIDYNNW VYDLVIPETH NFIAPNGLVL HNAQ

Formula weight

19895.34 Da

Source organism

Pyrococcus horikoshii OT3

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 89.5 %, Completeness (bb): 94.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.5 % (1847 of 2063)	91.7 % (978 of 1066)	86.0 % (704 of 819)	92.7 % (165 of 178)
Backbone	94.2 % (966 of 1026)	94.3 % (328 of 348)	94.3 % (484 of 513)	93.3 % (154 of 165)
Sidechain	86.4 % (1039 of 1202)	90.5 % (650 of 718)	80.3 % (378 of 471)	84.6 % (11 of 13)
Aromatic	44.8 % (86 of 192)	71.9 % (69 of 96)	16.0 % (15 of 94)	100.0 % (2 of 2)
Methyl	96.8 % (209 of 216)	95.4 % (103 of 108)	98.1 % (106 of 108)

1. PhoRadA intein

AFARDTEVYY ENDTVPHMES IEEMYSKYAS MNGELPFDNG YAVPLDNVFV YTLDIASGEI KKTRASYIYR EKVEKLIEIK LSSGYSLKVT PSHPVLLFRD GLQWVPAAEV KPGDVVVGVR EEVLRRRIIS KGELEFHEVS SVRIIDYNNW VYDLVIPETH NFIAPNGLVL HNAQ

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Concentration
1	PhoRadA intein	[U-99% 13C; U-99% 15N]	0.4 mM
2	sodium 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
¹H	water	protons	4.7 ppm	internal	direct	1.0

Referencing offset: 0.09 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	protons	4.7 ppm	internal	direct	1.0

Referencing offset: 0.09 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	protons	4.7 ppm	internal	direct	1.0

Referencing offset: 0.01 ppm, Outliers: 4 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	protons	4.7 ppm	internal	direct	1.0

Referencing offset: 0.53 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2012-05-14

Citation

NMR and crystal structures of the Pyrococcus horikoshii RadA intein guide a strategy for engineering a highly efficient and promiscuous intein
Oeemig, J.S., Zhou, D., Kajander, T., Wlodawer, A., Iwai, H.
J. Mol. Biol. (2012), 421, 85-99, PubMed 22560994 , DOI 10.1016/j.jmb.2012.04.029 , Abstract

Related entities 1. PhoRadA intein, : 1 : 1 : 1 : 13 entities Detail

Experiments performed 21 experiments Detail

1 2D 1H-15N HSQC