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BMRB: 19709

2MJ7

Solution NMR structure of beta-adaptin appendage domain of human adaptor protein complex 4 subunit beta, Northeast Structural Genomics Consortium (NESG) Target HR8998C

Authors

Eletsky, A., Rotshteyn, D.J., Pederson, K., Shastry, R., Maglaqui, M., Janjua, H., Xiao, R., Everett, J.K., Montelione, G.T., Prestegard, J.H., Szyperski, T.

Assembly

HR8998C

Entity

1. HR8998C (polymer, Thiol state: all free), 141 monomers, 15985.00 Da Detail

MGHHHHHHSH MQELPDSGAL MLVPNRQLTA DYFEKTWLSL KVAHQQVLPW RGEFHPDTLQ MALQVVNIQT IAMSRAGSRP WKAYLSAQDD TGCLFLTELL LEPGNSEMQI SVKQNEARTE TLNSFISVLE TVIGTIEEIK S

Formula weight

15985.0 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 95.0 %, Completeness: 93.0 %, Completeness (bb): 94.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.0 % (1538 of 1653)	94.0 % (804 of 855)	91.2 % (588 of 645)	95.4 % (146 of 153)
Backbone	94.6 % (789 of 834)	95.1 % (269 of 283)	94.2 % (392 of 416)	94.8 % (128 of 135)
Sidechain	91.9 % (876 of 953)	93.5 % (535 of 572)	89.0 % (323 of 363)	100.0 % (18 of 18)
Aromatic	68.0 % (87 of 128)	79.7 % (51 of 64)	54.1 % (33 of 61)	100.0 % (3 of 3)
Methyl	99.4 % (165 of 166)	100.0 % (83 of 83)	98.8 % (82 of 83)

1. HR8998C

MGHHHHHHSH MQELPDSGAL MLVPNRQLTA DYFEKTWLSL KVAHQQVLPW RGEFHPDTLQ MALQVVNIQT IAMSRAGSRP WKAYLSAQDD TGCLFLTELL LEPGNSEMQI SVKQNEARTE TLNSFISVLE TVIGTIEEIK S

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.4 mM HR8998C NC5, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR8998C	[5%-13C; U-15N]	0.4 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DSS	natural abundance	50 uM
6	sodium azide	natural abundance	0.02 %

Sample #2

Solvent system 80% H2O/20% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.2 mM HR8998C NC5, 4% PEG/hexanol, 80% H2O/20% D2O

#	Name	Isotope labeling	Concentration
7	HR8998C	[5%-13C; U-15N]	0.2 mM
8	MES	natural abundance	20 mM
9	sodium chloride	natural abundance	100 mM
10	calcium chloride	natural abundance	5 mM
11	DSS	natural abundance	50 uM
12	sodium azide	natural abundance	0.02 %
13	C12E5 PEG	natural abundance	4 %
14	1-hexanol	natural abundance	4 %

Sample #3

Solvent system 80% H2O/20% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.2 mM HR8998C NC5, Pf1 phage, 80% H2O/20% D2O

#	Name	Isotope labeling	Concentration
15	HR8998C	[5%-13C; U-15N]	0.2 mM
16	MES	natural abundance	20 mM
17	sodium chloride	natural abundance	100 mM
18	calcium chloride	natural abundance	5 mM
19	DSS	natural abundance	50 uM
20	sodium azide	natural abundance	0.02 %
21	Pf1 phage	natural abundance	12.5 mg/mL

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.2 mM HR8998C NC, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
22	HR8998C	[U-13C; U-15N]	0.2 mM
23	MES	natural abundance	20 mM
24	sodium chloride	natural abundance	100 mM
25	calcium chloride	natural abundance	5 mM
26	DSS	natural abundance	50 uM
27	sodium azide	natural abundance	0.02 %

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: 0.06 ppm, Outliers: 2 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: 0.06 ppm, Outliers: 2 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: -0.04 ppm, Outliers: 1 Detail

LACS Plot; CO

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: 0.26 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MJ7, Strand ID: A Detail

Release date

2014-01-22

Related entities 1. HR8998C, : 1 : 7 entities Detail

Interaction partners 1. HR8998C, : 8 interactors Detail

More details for 8 interactors identified by 6 citations

Experiments performed 25 experiments Detail

1 2D 1H-15N HSQC