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BMRB: 16370

2KKQ

Solution NMR Structure of the Ig-like C2-type 2 Domain of Human Myotilin. Northeast Structural Genomics Target HR3158.

Authors

Rossi, P., Shastry, R., Ciccosanti, C., Hamilton, K., Xiao, R., Acton, T.B., G.V.T, S., Nair, R., Everett, J.K., Rost, B., Montelione, G.T.

Assembly

Human Myotilin

Entity

1. Human Myotilin (polymer, Thiol state: all free), 116 monomers, 13314.01 Da Detail

MGHHHHHHSH EHKRAPMFIY KPQSKKVLEG DSVKLECQIS AIPPPKLFWK RNNEMVQFNT DRISLYQDNT GRVTLLIKDV NKKDAGWYTV SAVNEAGVTT CNTRLDVTAR PNQTLP

Formula weight

13314.01 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.1 %, Completeness: 87.0 %, Completeness (bb): 91.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.0 % (1201 of 1380)	85.3 % (616 of 722)	88.2 % (471 of 534)	91.9 % (114 of 124)
Backbone	91.2 % (622 of 682)	90.4 % (208 of 230)	91.5 % (314 of 343)	91.7 % (100 of 109)
Sidechain	84.2 % (681 of 809)	82.9 % (408 of 492)	85.8 % (259 of 302)	93.3 % (14 of 15)
Aromatic	72.7 % (80 of 110)	72.7 % (40 of 55)	73.6 % (39 of 53)	50.0 % (1 of 2)
Methyl	96.6 % (114 of 118)	96.6 % (57 of 59)	96.6 % (57 of 59)

1. Ig-like C2-type 2 Domain

MGHHHHHHSH EHKRAPMFIY KPQSKKVLEG DSVKLECQIS AIPPPKLFWK RNNEMVQFNT DRISLYQDNT GRVTLLIKDV NKKDAGWYTV SAVNEAGVTT CNTRLDVTAR PNQTLP

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	0.87 mM
2	sodium chloride	natural abundance	200 mM
3	MES	natural abundance	20 mM
4	DSS	natural abundance	50 uM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	Calcium Chloride	natural abundance	5 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
10	entity	[U-5% 13C]	0.68 mM
11	sodium chloride	natural abundance	200 mM
12	MES	natural abundance	20 mM
13	DSS	natural abundance	50 uM
14	DTT	natural abundance	10 mM
15	sodium azide	natural abundance	0.02 %
16	Calcium Chloride	natural abundance	5 mM
17	H2O	natural abundance	90 %
18	D2O	natural abundance	10 %

LACS Plot; CA

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

Referencing offset: -0.3 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.3 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.08 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: 0.61 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2009-06-28

Citation

Solution NMR Structure of the Ig-like C2-type 2 Domain of Human Myotilin. Northeast Structural Genomics Target HR3158
Rossi, P., Montelione, G.T.
Not known

Related entities 1. Human Myotilin, : 1 : 739 entities Detail

Interaction partners 1. Human Myotilin, : 7 interactors Detail

More details for 7 interactors identified by 6 citations

Experiments performed 16 experiments Detail

1 3D CBCA(CO)NH