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BMRB: 15535

2JWS

Solution NMR structures of two designed proteins with 88% sequence identity but different fold and function

Authors

He, Y., Chen, Y., Alexander, P., Bryan, P., Orban, J.

Assembly

Ga88

Entity

1. Ga88 (polymer, Thiol state: not present), 56 monomers, 6309.295 Da Detail

TTYKLILNLK QAKEEAIKEL VDAGIAEKYI KLIANAKTVE GVWTLKDEIL TFTVTE

Formula weight

6309.295 Da

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.3 %, Completeness (bb): 98.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.3 % (592 of 678)	85.1 % (296 of 348)	88.9 % (240 of 270)	93.3 % (56 of 60)
Backbone	98.2 % (330 of 336)	97.4 % (111 of 114)	98.8 % (164 of 166)	98.2 % (55 of 56)
Sidechain	79.8 % (316 of 396)	79.1 % (185 of 234)	82.3 % (130 of 158)	25.0 % (1 of 4)
Aromatic	84.2 % (32 of 38)	89.5 % (17 of 19)	77.8 % (14 of 18)	100.0 % (1 of 1)
Methyl	70.2 % (66 of 94)	72.3 % (34 of 47)	68.1 % (32 of 47)

1. Ga88

TTYKLILNLK QAKEEAIKEL VDAGIAEKYI KLIANAKTVE GVWTLKDEIL TFTVTE

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 7 (±0.1), Details 0.2~0.4 mM Ga88 protein + pH7 50 mM sodium phosphate + 50 mM sodium chloride + 10% D2O

#	Name	Isotope labeling	Concentration
1	Ga88	[U-100% 13C; U-100% 15N]	0.2 ~ 0.4 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM
4	H20	natural abundance	90 %
5	D2O		10 %

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	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.31 ppm, Outliers: 2 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	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.31 ppm, Outliers: 2 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	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.17 ppm, Outliers: 1 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	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.47 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2008-11-02

Citation

NMR structures of two designed proteins with high sequence identity but different fold and function
He, Y., Chen, Y., Alexander, P., Bryan, P.N., Orban, J.
Proc. Natl. Acad. Sci. U. S. A. (2008), 105, 14412-14417, PubMed 18796611 , DOI 10.1073/pnas.0805857105 , Abstract