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BMRB: 18088

2LLT

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, 10443.49 × 2 Da Detail

GSELETAMET LINVFHAHSG KEGDKYKLSK KELKELLQTE LSGFLDAQKD VDAVDKVMKE LDENGDGEVD FQEYVVLVAA LTVAXNNFFW ENS

Total weight

20886.98 Da

Max. entity weight

10443.49 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 90.2 %, Completeness (bb): 82.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.2 % (961 of 1066)	97.6 % (536 of 549)	78.4 % (326 of 416)	98.0 % (99 of 101)
Backbone	82.8 % (457 of 552)	96.8 % (184 of 190)	67.8 % (183 of 270)	97.8 % (90 of 92)
Sidechain	98.3 % (590 of 600)	98.1 % (352 of 359)	98.7 % (229 of 232)	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	100.0 % (106 of 106)	100.0 % (53 of 53)	100.0 % (53 of 53)

1. S100A1 with post-translational S-nitrosylation, strand 1

GSELETAMET LINVFHAHSG KEGDKYKLSK KELKELLQTE LSGFLDAQKD VDAVDKVMKE LDENGDGEVD FQEYVVLVAA LTVAXNNFFW 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_pt	[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: -0.22 ppm, Outliers: 5 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: -0.22 ppm, Outliers: 5 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: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LLT, 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

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

  BMRB: 18089 released on 2012-09-23
    Title Post-translational S-nitrosylation is an endogenous factor fine-tuning human S100A1 protein properties
  Swiss-Prot: P23297 released on 1991-11-01
    Title S10A1_HUMAN Entity Protein S100-A1

Related entities 1. Post-translational S-nitrosylation, : 1 : 10 : 256 entities Detail

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

More details for 11 interactors identified by 5 citations