BMRBj - BMREntryMaster

Found 1 Document (1.069 seconds)

BMRB: 19293

2M9G

Solution structure of calcium-bound human S100A12

Authors

Hung, K., Hsu, C., Yu, C.

Assembly

calcium-bound human S100A12

Entity

1. calcium-bound human S100A12 (polymer, Thiol state: not present), 92 monomers, 10574.89 × 2 Da Detail

MTKLEEHLEG IVNIFHQYSV RKGHFDTLSK GELKQLLTKE LANTIKNIKD KAVIDEIFQG LDANQDEQVD FQEFISLVAI ALKAAHYHTH KE

Total weight

21149.78 Da

Max. entity weight

10574.89 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 87.0 %, Completeness: 66.2 %, Completeness (bb): 81.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	66.2 % (739 of 1116)	63.4 % (367 of 579)	67.8 % (295 of 435)	75.5 % (77 of 102)
Backbone	81.2 % (448 of 552)	78.2 % (147 of 188)	82.7 % (225 of 272)	82.6 % (76 of 92)
Sidechain	56.0 % (365 of 652)	56.3 % (220 of 391)	57.4 % (144 of 251)	10.0 % (1 of 10)
Aromatic	0.0 % (0 of 90)	0.0 % (0 of 45)	0.0 % (0 of 45)
Methyl	62.9 % (73 of 116)	63.8 % (37 of 58)	62.1 % (36 of 58)

1. S100A12

MTKLEEHLEG IVNIFHQYSV RKGHFDTLSK GELKQLLTKE LANTIKNIKD KAVIDEIFQG LDANQDEQVD FQEFISLVAI ALKAAHYHTH KE

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	S100A12	[U-13C; U-15N]	1 mM
2	HEPES	natural abundance	10 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	sodium azide	natural abundance	0.02% w/v
6	H2O	natural abundance	90 %
7	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: -0.29 ppm, Outliers: 3 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: -0.29 ppm, Outliers: 3 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: 0.0 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: -0.38 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M9G, Strand ID: A, B Detail

Release date

2014-02-12

Citation

Solution structure of human Ca(2+)-bound S100A12
Hung, K., Hsu, C., Yu, C.
J. Biomol. NMR (2013), 57, 313-318, PubMed 24057444 , DOI 10.1007/s10858-013-9781-3 , Abstract

Related entities 1. calcium-bound human S100A12, : 1 : 2 : 7 : 262 entities Detail

Interaction partners 1. calcium-bound human S100A12, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC