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BMRB: 16380

2KL2

NMR solution structure of A2LD1 (gi:13879369)

Authors

Pedrini, B., Serrano, P., Mohanty, B., Geralt, M., Herrmann, T., Wuthrich, K., Wilson, I.

Assembly

gi-13879369

Entity

1. gi-13879369 (polymer, Thiol state: all free), 149 monomers, 17079.98 Da Detail

MAHIFVYGTL KRGQPNHKVM LDHSHGLAAF RGRGCTVESF PLVIAGEHNI PWLLYLPGKG HCVTGEIYEV DEQMLRFLDD FEDCPSMYQR TALQVQVLEW EGDGDPGDSV QCFVYTTATY APEWLFLPYH ESYDSEGPHG LRYNPRENR

Formula weight

17079.98 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 83.6 %, Completeness (bb): 82.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.6 % (1453 of 1739)	91.0 % (819 of 900)	70.5 % (484 of 687)	98.7 % (150 of 152)
Backbone	82.8 % (724 of 874)	98.3 % (297 of 302)	67.0 % (290 of 433)	98.6 % (137 of 139)
Sidechain	86.2 % (862 of 1000)	87.3 % (522 of 598)	84.1 % (327 of 389)	100.0 % (13 of 13)
Aromatic	65.2 % (137 of 210)	78.1 % (82 of 105)	51.0 % (52 of 102)	100.0 % (3 of 3)
Methyl	96.4 % (135 of 140)	97.1 % (68 of 70)	95.7 % (67 of 70)

1. gi-13879369

MAHIFVYGTL KRGQPNHKVM LDHSHGLAAF RGRGCTVESF PLVIAGEHNI PWLLYLPGKG HCVTGEIYEV DEQMLRFLDD FEDCPSMYQR TALQVQVLEW EGDGDPGDSV QCFVYTTATY APEWLFLPYH ESYDSEGPHG LRYNPRENR

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Concentration
1	gi-13879369	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	[U-100% 2H]	4.5 mM
5	DTT	natural abundance	0.5 mM
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	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.25 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.25 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KL2, Strand ID: A Detail

Release date

2009-08-06

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

Related entities 1. gi-13879369, : 1 : 3 : 23 entities Detail

Interaction partners 1. gi-13879369, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 8 experiments Detail

1 5D APSY CBCACONH