BMRBj - BMREntryMaster

Found 1 Document (2.396 seconds)

BMRB: 26738

5I8N

1H, 13C, and 15N Chemical Shift Assignments for Ca2+-bound human mS100A9

Authors

Chang, C., Chin, Y.

Assembly

human Ca2+-bound mS100A9 (C3S) homodimer

Entity

1. human Ca2+-bound mS100A9 (C3S) homodimer (polymer, Thiol state: not present), 114 monomers, 13225.77 × 2 Da Detail

MTSKMSQLER NIETIINTFH QYSVKLGHPD TLNQGEFKEL VRKDLQNFLK KENKNEKVIE HIMEDLDTNA DKQLSFEEFI MLMARLTWAS HEKMHEGDEG PGHHHKPGLG EGTP

Total weight

26451.54 Da

Max. entity weight

13225.77 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.9 %, Completeness: 80.8 %, Completeness (bb): 89.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.8 % (1109 of 1372)	79.4 % (574 of 723)	82.7 % (435 of 526)	81.3 % (100 of 123)
Backbone	89.5 % (605 of 676)	86.2 % (200 of 232)	91.9 % (307 of 334)	89.1 % (98 of 110)
Sidechain	75.1 % (602 of 802)	76.2 % (374 of 491)	75.8 % (226 of 298)	15.4 % (2 of 13)
Aromatic	0.0 % (0 of 102)	0.0 % (0 of 51)	0.0 % (0 of 50)	0.0 % (0 of 1)
Methyl	91.0 % (91 of 100)	90.0 % (45 of 50)	92.0 % (46 of 50)

1. mS100A9

MTSKMSQLER NIETIINTFH QYSVKLGHPD TLNQGEFKEL VRKDLQNFLK KENKNEKVIE HIMEDLDTNA DKQLSFEEFI MLMARLTWAS HEKMHEGDEG PGHHHKPGLG EGTP

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	mS100A9	[U-100% 13C; U-100% 15N]	2 mM
2	TRIS	natural abundance	50 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.14 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.14 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.4 ppm, Outliers: 1 Detail

Release date

2016-09-08

Citation

Blocking the interaction between S100A9 and RAGE V domain using CHAPS molecule: A novel route to drug development against cell proliferation
Chang, C., Khan, I., Tsai, K., Li, H., Yang, L., Chou, R., Yu, C.
Biochim. Biophys. Acta (2016), 1864, 1558-1569, PubMed 27524699 , DOI 10.1016/j.bbapap.2016.08.008 , Abstract

Related entities 1. human Ca2+-bound mS100A9 (C3S) homodimer, : 1 : 5 : 5 : 54 entities Detail

Interaction partners 1. human Ca2+-bound mS100A9 (C3S) homodimer, : 35 interactors Detail

More details for 35 interactors identified by 16 citations

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC