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BMRB: 18089

2LLU

Post-translational S-nitrosylation is an endogenous factor fine-tuning human S100A1 protein properties

Authors

Lenarcic Zivkovic, M., Zareba-Koziol, M., Zhukova, L., Poznanski, J., Zhukov, I., Wyslouch-Cieszynska, A.

Assembly

Post-translational S-nitrosylation

Entity

1. Post-translational S-nitrosylation (polymer, Thiol state: not present), 93 monomers, 10414.49 × 2 Da Detail

GSELETAMET LINVFHAHSG KEGDKYKLSK KELKELLQTE LSGFLDAQKD VDAVDKVMKE LDENGDGEVD FQEYVVLVAA LTVACNNFFW ENS

Total weight

20828.98 Da

Max. entity weight

10414.49 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.7 %, Completeness (bb): 82.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.7 % (963 of 1074)	97.6 % (540 of 553)	77.1 % (323 of 419)	98.0 % (100 of 102)
Backbone	82.8 % (462 of 558)	97.9 % (188 of 192)	67.0 % (183 of 273)	97.8 % (91 of 93)
Sidechain	97.5 % (588 of 603)	97.5 % (352 of 361)	97.4 % (227 of 233)	100.0 % (9 of 9)
Aromatic	100.0 % (86 of 86)	100.0 % (43 of 43)	100.0 % (42 of 42)	100.0 % (1 of 1)
Methyl	98.1 % (104 of 106)	98.1 % (52 of 53)	98.1 % (52 of 53)

1. S100A1 without Post-translational S-nitrosylation, stand 1

GSELETAMET LINVFHAHSG KEGDKYKLSK KELKELLQTE LSGFLDAQKD VDAVDKVMKE LDENGDGEVD FQEYVVLVAA LTVACNNFFW ENS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	S100A1	[U-98% 13C; U-98% 15N]	0.8 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	sodium chloride	natural abundance	150 mM

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: -0.27 ppm, Outliers: 2 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: -0.27 ppm, Outliers: 2 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: -0.06 ppm, Outliers: 4 Detail

Protein Blocks Logo

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

Release date

2012-09-23

Citation

Post-translational S-nitrosylation is an endogenous factor fine tuning the properties of human S100A1 protein
Lenari ivkovic, M., Zarba-Kozio, M., Zhukova, L., Poznaski, J., Zhukov, I., Wysouch-Cieszyska, A.
J. Biol. Chem. (2012), 287, 40457-40470, PubMed 22989881 , DOI 10.1074/jbc.M112.418392 , Abstract

Related entities 1. Post-translational S-nitrosylation, : 1 : 6 : 2 : 4 : 260 entities Detail

Interaction partners 1. Post-translational S-nitrosylation, : 11 interactors Detail

More details for 11 interactors identified by 5 citations