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BMRB: 18539

2LUS

NMR structure of Carcinoscorpius rotundicauda thioredoxin related protein 16 and its role in regulating transcription factor NF-kB activity

Authors

Pankaj, G.KUMAR., Fan, J., Swaminathan, K., Sivaraman, J.

Assembly

protein 16

Entity

1. protein 16 (polymer, Thiol state: all free), 143 monomers, 16045.19 Da Detail

MEFIQGIKLV KKNRCEVNAN EALKDKDIIG FYFSAHWCPP CRGFTPILAD MYSELVDDSA PFEIIFVSSD RSEDDMFQYM MESHGDWLAI PYRSGPASNV TAKYGITGIP ALVIVKKDGT LISMNGRGEV QSLGPRAFQN WAR

Formula weight

16045.19 Da

Source organism

Carcinoscorpius rotundicauda

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.2 %, Completeness: 79.7 %, Completeness (bb): 81.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.7 % (1333 of 1672)	84.5 % (734 of 869)	70.8 % (464 of 655)	91.2 % (135 of 148)
Backbone	81.1 % (683 of 842)	93.4 % (270 of 289)	68.7 % (287 of 418)	93.3 % (126 of 135)
Sidechain	80.7 % (776 of 962)	80.2 % (465 of 580)	81.8 % (302 of 369)	69.2 % (9 of 13)
Aromatic	47.0 % (77 of 164)	53.7 % (44 of 82)	39.2 % (31 of 79)	66.7 % (2 of 3)
Methyl	100.0 % (142 of 142)	100.0 % (71 of 71)	100.0 % (71 of 71)

1. protein 16

MEFIQGIKLV KKNRCEVNAN EALKDKDIIG FYFSAHWCPP CRGFTPILAD MYSELVDDSA PFEIIFVSSD RSEDDMFQYM MESHGDWLAI PYRSGPASNV TAKYGITGIP ALVIVKKDGT LISMNGRGEV QSLGPRAFQN WAR

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	100 mM
2	DTT	natural abundance	5 mM
3	EDTA	natural abundance	1 mM
4	glycerol	natural abundance	5 %
5	H2O	natural abundance	95 %
6	D2O	[U-2H]	5 %
7	protein_16	[U-100% 13C; U-100% 15N]	1.0 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
8	sodium chloride	natural abundance	100 mM
9	DTT	natural abundance	5 mM
10	EDTA	natural abundance	1 mM
11	glycerol	natural abundance	5 %
12	H2O	natural abundance	95 %
13	D2O	[U-2H]	5 %
14	protein_16	[U-100% 13C; U-100% 15N]	1.0 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
15	sodium chloride	natural abundance	100 mM
16	DTT	natural abundance	5 mM
17	EDTA	natural abundance	1 mM
18	Pf1 phage	natural abundance	8 mg/mL
19	H2O	natural abundance	95 %
20	D2O	[U-2H]	5 %
21	protein_16	[U-100% 13C; U-100% 15N]	1.0 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbon	na	indirect	0.25
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	nitrogen	na	indirect	0.1

Referencing offset: 0.29 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbon	na	indirect	0.25
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	nitrogen	na	indirect	0.1

Referencing offset: 0.29 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbon	na	indirect	0.25
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	nitrogen	na	indirect	0.1

Referencing offset: -0.01 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2012-07-08

Citation

NMR structure of Carcinoscorpius rotundicauda thioredoxin-related protein 16 and its role in regulating transcription factor NF-κB activity
Giri, P.KUMAR., Fan, J., Kumaraswamy, S.MUTHU., Ding, J.LING., Sethi, G., Swaminathan, K., Sivaraman, J.
J. Biol. Chem. (2012), 287, 29417-29428, PubMed 22763700 , DOI 10.1074/jbc.M112.379859 , Abstract

Related entities 1. protein 16, : 1 : 71 entities Detail

Experiments performed 6 experiments Detail

1 3D 1H-15N NOESY