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BMRB: 16320

2KJG

Solution structure of an archaeal protein SSO6904 from hyperthermophilic Sulfolobus solfataricus

Authors

Feng, Y., Yao, H., Wang, J.

Assembly

SSO6904

Entity

1. SSO6904 (polymer, Thiol state: not present), 99 monomers, 11893.59 Da Detail

MSILEDPEFV KLRQFKGKVN FNLVMQILDE IELDLRGSDN IKTSIIYVYS SHLDEIRKNK EFYDMIAEIL QRYYKKIGIE NVNQLILTTI KLEHHHHHH

Formula weight

11893.59 Da

Source organism

Saccharolobus solfataricus

Exptl. method

solution NMR

Refine. method

molecular dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.9 %, Completeness: 89.4 %, Completeness (bb): 89.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.4 % (1119 of 1252)	89.5 % (586 of 655)	89.2 % (436 of 489)	89.8 % (97 of 108)
Backbone	89.2 % (528 of 592)	89.0 % (178 of 200)	89.5 % (263 of 294)	88.8 % (87 of 98)
Sidechain	89.0 % (673 of 756)	88.8 % (404 of 455)	89.0 % (259 of 291)	100.0 % (10 of 10)
Aromatic	75.9 % (82 of 108)	77.8 % (42 of 54)	74.1 % (40 of 54)
Methyl	96.8 % (120 of 124)	96.8 % (60 of 62)	96.8 % (60 of 62)

1. SSO6904

MSILEDPEFV KLRQFKGKVN FNLVMQILDE IELDLRGSDN IKTSIIYVYS SHLDEIRKNK EFYDMIAEIL QRYYKKIGIE NVNQLILTTI KLEHHHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	SS6904	[U-13C; U-15N]	1.0 ~ 1.5 mM
2	potassium phosphate	natural abundance	50 mM
3	potassium chloride	natural abundance	100 mM
4	D2O	[U-99.8% 2H]	10 %
5	DSS	natural abundance	0.02 % w/v
6	sodium azide	natural abundance	0.02 % w/v
7	arginine	natural abundance	50 mM
8	glutamic acid	natural abundance	50 mM
9	H2O	natural abundance	90 %

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: -0.39 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	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.39 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	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.04 ppm, Outliers: 2 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: -0.3 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2009-10-13

Citation

Solution structure and calcium binding of protein SSO6904 from the hyperthermophilic archaeon Sulfolobus solfataricus
Feng, Y., Yao, H., Wang, J.
Proteins (2010), 78, 474-479, PubMed 19768683 , DOI 10.1002/prot.22580 , Abstract

Related entities 1. SSO6904, : 1 : 3 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC