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BMRB: 17261

2L50

SOLUTION STRUCTURE OF APO S100A16

Authors

Babini, E., Bertini, I., Borsi, V., Calderone, V., Hu, X., Luchinat, C., Parigi, G.

Assembly

APO S100A16

Entity

1. APO S100A16 (polymer, Thiol state: all free), 102 monomers, 11670.06 × 2 Da Detail

SDCYTELEKA VIVLVENFYK YVSKYSLVKN KISKSSFREM LQKELNHMLS DTGNRKAADK LIQNLDANHD GRISFDEYWT LIGGITGPIA KLIHEQEQQS SS

Total weight

23340.12 Da

Max. entity weight

11670.06 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 77.1 %, Completeness (bb): 95.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	77.1 % (940 of 1219)	67.8 % (431 of 636)	87.4 % (411 of 470)	86.7 % (98 of 113)
Backbone	95.4 % (582 of 610)	93.8 % (195 of 208)	96.7 % (291 of 301)	95.0 % (96 of 101)
Sidechain	63.3 % (447 of 706)	54.2 % (232 of 428)	80.5 % (214 of 266)	8.3 % (1 of 12)
Aromatic	1.1 % (1 of 94)	2.1 % (1 of 47)	0.0 % (0 of 46)	0.0 % (0 of 1)
Methyl	56.4 % (62 of 110)	12.7 % (7 of 55)	100.0 % (55 of 55)

1. entity

SDCYTELEKA VIVLVENFYK YVSKYSLVKN KISKSSFREM LQKELNHMLS DTGNRKAADK LIQNLDANHD GRISFDEYWT LIGGITGPIA KLIHEQEQQS SS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	APOS100A16	[U-100% 13C; U-100% 15N]	0.6 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	KCl	natural abundance	200 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
5	APOS100A16	[U-100% 15N]	0.6 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	KCl	natural abundance	200 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methylene carbons	69.4 ppm	external	direct	1.0
¹H	TMS	methyl protons	0.0 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 2.63 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methylene carbons	69.4 ppm	external	direct	1.0
¹H	TMS	methyl protons	0.0 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 2.63 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methylene carbons	69.4 ppm	external	direct	1.0
¹H	TMS	methyl protons	0.0 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methylene carbons	69.4 ppm	external	direct	1.0
¹H	TMS	methyl protons	0.0 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 2.3 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 30 models in PDB: 2L50, Strand ID: A, B Detail

Release date

2010-11-14

Citation

Structural characterization of human S100A16, a low-affinity calcium binder
Babini, E., Bertini, I., Borsi, V., Calderone, V., Hu, X., Luchinat, C., Parigi, G.
J. Biol. Inorg. Chem. (2011), 16, 243-256, PubMed 21046186 , DOI 10.1007/s00775-010-0721-3 , Abstract

Related entities 1. APO S100A16, : 1 : 3 : 1 : 164 entities Detail

Interaction partners 1. APO S100A16, : 8 interactors Detail

More details for 8 interactors identified by 5 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC