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BMRB: 18425

2LUC

Resonance Assignments of Ca2+-bound human S100A11

Authors

Hung, K., Chang, Y., Yu, C.

Assembly

S100A11 dimer

Entity

1. S100A11 (polymer, Thiol state: all free), 105 monomers, 11740.32 × 2 Da Detail

MAKISSPTET ERCIESLIAV FQKYAGKDGY NYTLSKTEFL SFMNTELAAF TKNQKDPGVL DRMMKKLDTN SDGQLDFSEF LNLIGGLAMA CHDSFLKAVP SQKRT

2. CALCIUM ION (non-polymer), 40.078 × 2 Da

Total weight

23560.797 Da

Max. entity weight

11740.32 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 90.5 %, Completeness: 72.8 %, Completeness (bb): 88.6 % Detail

Polymer type: polypeptide(D)

	Total	¹H	¹³C	¹⁵N
All	72.8 % (896 of 1230)	68.1 % (436 of 640)	77.0 % (369 of 479)	82.0 % (91 of 111)
Backbone	88.6 % (553 of 624)	88.3 % (188 of 213)	88.7 % (274 of 309)	89.2 % (91 of 102)
Sidechain	61.1 % (431 of 705)	58.1 % (248 of 427)	68.0 % (183 of 269)	0.0 % (0 of 9)
Aromatic	0.0 % (0 of 98)	0.0 % (0 of 49)	0.0 % (0 of 49)
Methyl	92.3 % (96 of 104)	92.3 % (48 of 52)	92.3 % (48 of 52)

1. S100A11

MAKISSPTET ERCIESLIAV FQKYAGKDGY NYTLSKTEFL SFMNTELAAF TKNQKDPGVL DRMMKKLDTN SDGQLDFSEF LNLIGGLAMA CHDSFLKAVP SQKRT

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	S100A11	[U-100% 13C; U-100% 15N]	1 mM
2	TRIS	natural abundance	25 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 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: 0.1 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: 0.1 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: 0.15 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: 2 Detail

Protein Blocks Logo

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

Release date

2012-04-24

Citation

Resonance assignments of Ca²⁺-bound human S100A11
Hung, K., Chang, Y., Yu, C.
Biomol. NMR Assign. (2013), 7, 211-214, PubMed 22825890 , DOI 10.1007/s12104-012-9412-z , Abstract

Related entities 1. S100A11, : 1 : 2 : 235 entities Detail

Interaction partners 1. S100A11, : 15 interactors Detail

More details for 15 interactors identified by 10 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC