BMRBj - BMREntryMaster

Found 1 Document (1.101 seconds)

BMRB: 34394

6RH5

Solution structure and 1H, 13C and 15N chemical shift assignments for NECAP1 PHear domain

Authors

Owen, D.J., Neuhaus, D., Yang, J.C., Herrmann, T.

Assembly

Adaptin ear-binding coat-associated protein 1

Entity

1. Adaptin ear-binding coat-associated protein 1 (polymer), 138 monomers, 15543.20 Da Detail

GSPNSMATEL EYESVLCVKP DVSVYRIPPR ASNRGYRASD WKLDQPDWTG RLRITSKGKT AYIKLEDKVS GELFAQAPVE QYPGIAVETV TDSSRYFVIR IQDGTGRSAF IGIGFTDRGD AFDFNVSLQD HFKWVKQE

Formula weight

15543.2 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamicssimulated annealingmolecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.0 %, Completeness (bb): 84.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.0 % (1462 of 1606)	98.0 % (818 of 835)	80.1 % (503 of 628)	98.6 % (141 of 143)
Backbone	84.6 % (689 of 814)	99.3 % (278 of 280)	70.0 % (282 of 403)	98.5 % (129 of 131)
Sidechain	97.8 % (899 of 919)	97.3 % (540 of 555)	98.6 % (347 of 352)	100.0 % (12 of 12)
Aromatic	97.5 % (154 of 158)	97.5 % (77 of 79)	97.4 % (74 of 76)	100.0 % (3 of 3)
Methyl	100.0 % (138 of 138)	100.0 % (69 of 69)	100.0 % (69 of 69)

1. entity 1

GSPNSMATEL EYESVLCVKP DVSVYRIPPR ASNRGYRASD WKLDQPDWTG RLRITSKGKT AYIKLEDKVS GELFAQAPVE QYPGIAVETV TDSSRYFVIR IQDGTGRSAF IGIGFTDRGD AFDFNVSLQD HFKWVKQE

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-98% 13C; U-98% 15N] NECAP1 1-133, 70 mM [U-2H] sodium acetate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

LACS Plot; CA

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

Referencing offset: -0.16 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.16 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.03 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 30 models in PDB: 6RH5, Strand ID: A Detail

Release date

2019-10-16

Citation

Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation
Wrobel, A.G., Kadlecova, Z., Kamenicky, J., Yang, J.C., Herrmann, T., Kelly, B.T., McCoy, A.J., Evans, P.R., Martin, S., Muller, S., Sroubek, F., Neuhaus, D., Honing, S., Owen, D.J.
Dev. Cell (2019), 50, 494-508, PubMed 31430451 , DOI 10.1016/j.devcel.2019.07.017 , Abstract

Related entities 1. Adaptin ear-binding coat-associated protein 1, : 1 : 1 : 8 : 27 entities Detail

Interaction partners 1. Adaptin ear-binding coat-associated protein 1, : 6 interactors Detail

More details for 6 interactors identified by 4 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-98% 13C; U-98% 15N] NECAP1 1-133, 70 mM [U-2H] sodium acetate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

4 2D 1H-13C HSQC aliphatic (constant time)

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

5 2D 1H-13C HSQC aromatic (constant time)

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

6 3D 1H-13C NOESY aromatic tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

7 3D 1H-13C NOESY aliphatic tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

8 3D 1H-15N NOESY tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

9 3D HCCH-TOCSY (13C,13C,1H)

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

10 3D HCCH-COSY (1H,13C,1H)

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

11 3D HBHA(CO)NH

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

12 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

13 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

14 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]		0.5 mM
2	sodium acetate	[U-2H]		70 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34394_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr34394_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1580		100.0 (chain: 1, length: 138)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 138, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 955
  - ¹³C chemical shifts: 485
  - ¹⁵N chemical shifts: 140
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	835	817	97.8
¹³C chemical shifts	628	485	77.2
¹⁵N chemical shifts	153	140	91.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	280	277	98.9
¹³C chemical shifts	276	138	50.0
¹⁵N chemical shifts	131	128	97.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	555	540	97.3
¹³C chemical shifts	352	347	98.6
¹⁵N chemical shifts	22	12	54.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	70	69	98.6
¹³C chemical shifts	70	69	98.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	79	77	97.5
¹³C chemical shifts	76	74	97.4
¹⁵N chemical shifts	3	3	100.0

Keywords AP2 endocytic adaptor, ENDOCYTOSIS, NECAP SNX9, clathrin mediated endocytosis, regulation by phosphorylation

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Found 1 Document (1.101 seconds)

BMRB: 34394

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Adaptin ear-binding coat-associated protein 1, : 1 : 1 : 8 : 27 entities Detail

Interaction partners 1. Adaptin ear-binding coat-associated protein 1, : 6 interactors Detail

Experiments performed 14 experiments Detail

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Chemical shift validation 3 contents Detail