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BMRB: 16019

2KA5

NMR Structure of the protein TM1081

Authors

Serrano, P., Geralt, M., Mohanty, B., Pedrini, B., Horst, R., Wuthrich, K., Wilson, I.

Assembly

TM1081

Entity

1. TM1081 (polymer, Thiol state: not present), 125 monomers, 14427.53 Da Detail

MGSDKIHHHH HHMFPYKIVD DVVILMPNKE LNIENAHLFK KWVFDEFLNK GYNKIFLVLS DVESIDSFSL GVIVNILKSI SSSGGFFALV SPNEKVERVL SLTNLDRIVK IYDTISEAME EVRRK

Formula weight

14427.53 Da

Source organism

Thermotoga maritima

Exptl. method

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.4 %, Completeness: 80.3 %, Completeness (bb): 76.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.3 % (1226 of 1526)	87.6 % (692 of 790)	68.9 % (417 of 605)	89.3 % (117 of 131)
Backbone	76.5 % (569 of 744)	89.7 % (226 of 252)	63.2 % (234 of 370)	89.3 % (109 of 122)
Sidechain	85.0 % (767 of 902)	86.6 % (466 of 538)	82.5 % (293 of 355)	88.9 % (8 of 9)
Aromatic	56.3 % (81 of 144)	68.1 % (49 of 72)	45.1 % (32 of 71)	0.0 % (0 of 1)
Methyl	99.4 % (157 of 158)	98.7 % (78 of 79)	100.0 % (79 of 79)

1. TM1081

MGSDKIHHHH HHMFPYKIVD DVVILMPNKE LNIENAHLFK KWVFDEFLNK GYNKIFLVLS DVESIDSFSL GVIVNILKSI SSSGGFFALV SPNEKVERVL SLTNLDRIVK IYDTISEAME EVRRK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TM1081	[U-98% 13C; U-98% 15N]		1.3 mM
2	sodium azide	natural abundance		0.3 %
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		20 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: 0.26 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.26 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.13 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KA5, Strand ID: A Detail

Release date

2012-05-30

Citation

Comparison of NMR and crystal structures highlights conformational isomerism in protein active sites
Serrano, P., Pedrini, B., Geralt, M., Jaudzems, K., Mohanty, B., Horst, R., Herrmann, T., Elsliger, M., Wilson, I.A., Wuthrich, K.
Acta Crystallogr. Sect. F. Struct. Biol. Cryst. Commun. (2010), 66, 1393-1405, PubMed 20944236 , DOI 10.1107/S1744309110033658 , Abstract

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

  BMRB: 16380 released on 2009-08-06
    Title NMR solution structure of A2LD1 (gi:13879369)
  Swiss-Prot: Q923B0 released on 2008-02-26
    Title GGACT_MOUSE Entity Gamma-glutamylaminecyclotransferase

Related entities 1. TM1081, : 1 : 2 : 12 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TM1081	[U-98% 13C; U-98% 15N]		1.3 mM
2	sodium azide	natural abundance		0.3 %
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		20 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TM1081	[U-98% 13C; U-98% 15N]		1.3 mM
2	sodium azide	natural abundance		0.3 %
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		20 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TM1081	[U-98% 13C; U-98% 15N]		1.3 mM
2	sodium azide	natural abundance		0.3 %
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		20 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

4 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TM1081	[U-98% 13C; U-98% 15N]		1.3 mM
2	sodium azide	natural abundance		0.3 %
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		20 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

5 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TM1081	[U-98% 13C; U-98% 15N]		1.3 mM
2	sodium azide	natural abundance		0.3 %
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		20 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

6 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TM1081	[U-98% 13C; U-98% 15N]		1.3 mM
2	sodium azide	natural abundance		0.3 %
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		20 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

7 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TM1081	[U-98% 13C; U-98% 15N]		1.3 mM
2	sodium azide	natural abundance		0.3 %
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		20 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

8 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TM1081	[U-98% 13C; U-98% 15N]		1.3 mM
2	sodium azide	natural abundance		0.3 %
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		20 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

9 3D H(CCO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TM1081	[U-98% 13C; U-98% 15N]		1.3 mM
2	sodium azide	natural abundance		0.3 %
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		20 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

nullKeywords Termotoga Marithima, TM1081