BMRBj - BMREntryMaster

Found 1 Document (1.438 seconds)

BMRB: 34395

6QH5

Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of NECAP1 PHear domain with phosphorylated AP2 mu2 148-163

Authors

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

Assembly

Adaptin ear-binding coat-associated protein 1, AP-2 complex subunit mu

Entity

1. Adaptin ear-binding coat-associated protein 1, AP-2 complex subunit mu, entity 1 (polymer), 138 monomers, 15543.20 Da Detail

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

2. Adaptin ear-binding coat-associated protein 1, AP-2 complex subunit mu, entity 2 (polymer, Thiol state: not present), 15 monomers, 1796.875 Da Detail

SQITSQVXGQ IGWRR

Total weight

17340.074 Da

Max. entity weight

15543.2 Da

Source organism

Homo sapiens , Rattus norvegicus

Exptl. method

solution NMR

Refine. method

torsion angle dynamicssimulated annealingmolecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.7 %, Completeness: 85.6 %, Completeness (bb): 79.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.6 % (1518 of 1774)	95.3 % (881 of 924)	72.1 % (497 of 689)	87.0 % (140 of 161)
Backbone	79.3 % (712 of 898)	97.7 % (303 of 310)	63.4 % (281 of 443)	88.3 % (128 of 145)
Sidechain	91.4 % (928 of 1015)	94.1 % (578 of 614)	87.8 % (338 of 385)	75.0 % (12 of 16)
Aromatic	94.1 % (160 of 170)	97.6 % (83 of 85)	91.4 % (74 of 81)	75.0 % (3 of 4)
Methyl	94.7 % (144 of 152)	98.7 % (75 of 76)	90.8 % (69 of 76)

1. entity 1

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

2. entity 2

SQITSQVXGQ IGWRR

Show sample condition

Sample #1

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, 0.5 mM AP2 mu2 148-163, 70 mM [U-2H] sodium acetate, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]	0.5 mM
2	AP2 mu2 148-163	natural abundance	0.5 mM
3	sodium acetate	[U-2H]	70 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-98% 13C; U-98% 15N] NECAP1, 0.5 mM [U-98% 13C; U-98% 15N] AP2 mu2 148-163, 70 mM [U-2H] sodium acetate, 100% D2O

#	Name	Isotope labeling	Concentration
4	NECAP1	[U-98% 13C; U-98% 15N]	0.5 mM
5	AP2 mu2 148-163	[U-98% 13C; U-98% 15N]	0.5 mM
6	sodium acetate	[U-2H]	70 mM

Protein Blocks Logo

Calculated from 30 models in PDB: 6RH6, Strand ID: A, B 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, AP-2 complex subunit mu, entity 1, : 3 : 18 entities Detail

Related entities 2. Adaptin ear-binding coat-associated protein 1, AP-2 complex subunit mu, entity 2, : 2 : 4 : 26 entities Detail

Interaction partners 2. Adaptin ear-binding coat-associated protein 1, AP-2 complex subunit mu, entity 2, : 27 interactors Detail

More details for 27 interactors identified by 18 citations

Experiments performed 24 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 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, 0.5 mM AP2 mu2 148-163, 70 mM [U-2H] sodium acetate, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]	0.5 mM
2	AP2 mu2 148-163	natural abundance	0.5 mM
3	sodium acetate	[U-2H]	70 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]	0.5 mM
2	AP2 mu2 148-163	natural abundance	0.5 mM
3	sodium acetate	[U-2H]	70 mM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]	0.5 mM
2	AP2 mu2 148-163	natural abundance	0.5 mM
3	sodium acetate	[U-2H]	70 mM

4 2D 1H-1H NOESY (reject 15N,13C coupled 1H in F1, accept 15N,13C coupled 1H in F2) tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]	0.5 mM
2	AP2 mu2 148-163	natural abundance	0.5 mM
3	sodium acetate	[U-2H]	70 mM

5 2D 1H-1H NOESY (reject 15N,13C coupled 1H in F1 and F2) tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]	0.5 mM
2	AP2 mu2 148-163	natural abundance	0.5 mM
3	sodium acetate	[U-2H]	70 mM

6 2D 1H-1H TOCSY (reject 15N,13C coupled 1H in F2)

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]	0.5 mM
2	AP2 mu2 148-163	natural abundance	0.5 mM
3	sodium acetate	[U-2H]	70 mM

7 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-98% 13C; U-98% 15N] NECAP1, 0.5 mM [U-98% 13C; U-98% 15N] AP2 mu2 148-163, 70 mM [U-2H] sodium acetate, 100% D2O

#	Name	Isotope labeling	Concentration
4	NECAP1	[U-98% 13C; U-98% 15N]	0.5 mM
5	AP2 mu2 148-163	[U-98% 13C; U-98% 15N]	0.5 mM
6	sodium acetate	[U-2H]	70 mM

8 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
4	NECAP1	[U-98% 13C; U-98% 15N]	0.5 mM
5	AP2 mu2 148-163	[U-98% 13C; U-98% 15N]	0.5 mM
6	sodium acetate	[U-2H]	70 mM

9 2D 1H-13C HSQC aliphatic (constant time)

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
4	NECAP1	[U-98% 13C; U-98% 15N]	0.5 mM
5	AP2 mu2 148-163	[U-98% 13C; U-98% 15N]	0.5 mM
6	sodium acetate	[U-2H]	70 mM

10 2D 1H-13C HSQC aromatic (constant time)

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
4	NECAP1	[U-98% 13C; U-98% 15N]	0.5 mM
5	AP2 mu2 148-163	[U-98% 13C; U-98% 15N]	0.5 mM
6	sodium acetate	[U-2H]	70 mM

11 2D 1H-1H NOESY (reject 15N,13C coupled 1H in F1, accept 13C coupled 1H in F2) tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
4	NECAP1	[U-98% 13C; U-98% 15N]	0.5 mM
5	AP2 mu2 148-163	[U-98% 13C; U-98% 15N]	0.5 mM
6	sodium acetate	[U-2H]	70 mM

12 3D HBHA(CO)NH

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]	0.5 mM
2	AP2 mu2 148-163	natural abundance	0.5 mM
3	sodium acetate	[U-2H]	70 mM

13 3D HNCACB

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]	0.5 mM
2	AP2 mu2 148-163	natural abundance	0.5 mM
3	sodium acetate	[U-2H]	70 mM

14 3D HCCH-COSY (1H,13C,1H)

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	NECAP1	[U-98% 13C; U-98% 15N]	0.5 mM
5	AP2 mu2 148-163	[U-98% 13C; U-98% 15N]	0.5 mM
6	sodium acetate	[U-2H]	70 mM

15 3D HCCH-TOCSY (13C,13C,1H)

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	NECAP1	[U-98% 13C; U-98% 15N]	0.5 mM
5	AP2 mu2 148-163	[U-98% 13C; U-98% 15N]	0.5 mM
6	sodium acetate	[U-2H]	70 mM

16 3D 1H-15N NOESY tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]	0.5 mM
2	AP2 mu2 148-163	natural abundance	0.5 mM
3	sodium acetate	[U-2H]	70 mM

17 3D 1H-13C NOESY aliphatic tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]	0.5 mM
2	AP2 mu2 148-163	natural abundance	0.5 mM
3	sodium acetate	[U-2H]	70 mM

18 3D 1H-13C NOESY aliphatic tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
4	NECAP1	[U-98% 13C; U-98% 15N]	0.5 mM
5	AP2 mu2 148-163	[U-98% 13C; U-98% 15N]	0.5 mM
6	sodium acetate	[U-2H]	70 mM

19 3D 1H-13C NOESY aromatic tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]	0.5 mM
2	AP2 mu2 148-163	natural abundance	0.5 mM
3	sodium acetate	[U-2H]	70 mM

20 3D 1H-13C NOESY aromatic tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
4	NECAP1	[U-98% 13C; U-98% 15N]	0.5 mM
5	AP2 mu2 148-163	[U-98% 13C; U-98% 15N]	0.5 mM
6	sodium acetate	[U-2H]	70 mM

21 3D 1H-13C NOESY aliphatic (reject 15N,13C coupled 1H in F1) tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]	0.5 mM
2	AP2 mu2 148-163	natural abundance	0.5 mM
3	sodium acetate	[U-2H]	70 mM

22 3D 1H-13C NOESY aliphatic (reject 15N,13C coupled 1H in F1) tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
4	NECAP1	[U-98% 13C; U-98% 15N]	0.5 mM
5	AP2 mu2 148-163	[U-98% 13C; U-98% 15N]	0.5 mM
6	sodium acetate	[U-2H]	70 mM

23 3D 1H-13C NOESY aromatic (reject 15N,13C coupled 1H in F1) tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NECAP1 1-133	[U-98% 13C; U-98% 15N]	0.5 mM
2	AP2 mu2 148-163	natural abundance	0.5 mM
3	sodium acetate	[U-2H]	70 mM

24 3D 1H-13C NOESY aromatic (reject 15N,13C coupled 1H in F1) tau(m) 150ms

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
4	NECAP1	[U-98% 13C; U-98% 15N]	0.5 mM
5	AP2 mu2 148-163	[U-98% 13C; U-98% 15N]	0.5 mM
6	sodium acetate	[U-2H]	70 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34395_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

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
2	8	TPO	PHOSPHOTHREONINE	Assigned chemical shifts

Content subtype: bmr34395_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1655		100.0 (chain: 1, length: 138), 93.3 (chain: 2, length: 15)
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%
  - Entity_assembly_ID: 2, Chain length: 15, Sequence coverage: 93.3%
- Total number of assignments
  - ¹H chemical shifts: 1040
  - ¹³C chemical shifts: 475
  - ¹⁵N chemical shifts: 140
- Completeness of assignments
  - Entity_assemble_ID: 1
  - Entity_assemble_ID: 2
- 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
  - Chain_ID: 2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	835	803	96.2
¹³C chemical shifts	628	475	75.6
¹⁵N chemical shifts	153	140	91.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	280	276	98.6
¹³C chemical shifts	276	138	50.0
¹⁵N chemical shifts	131	127	96.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	555	527	95.0
¹³C chemical shifts	352	337	95.7
¹⁵N chemical shifts	22	13	59.1

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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	93	83	89.2
¹³C chemical shifts	65	0	0.0
¹⁵N chemical shifts	21	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	32	29	90.6
¹³C chemical shifts	30	0	0.0
¹⁵N chemical shifts	15	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	61	54	88.5
¹³C chemical shifts	35	0	0.0
¹⁵N chemical shifts	6	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	8	8	100.0
¹³C chemical shifts	8	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	6	6	100.0
¹³C chemical shifts	5	0	0.0
¹⁵N chemical shifts	1	0	0.0

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

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Found 1 Document (1.438 seconds)

BMRB: 34395

Sample #1

Sample #2

Related entities 1. Adaptin ear-binding coat-associated protein 1, AP-2 complex subunit mu, entity 1, : 3 : 18 entities Detail

Related entities 2. Adaptin ear-binding coat-associated protein 1, AP-2 complex subunit mu, entity 2, : 2 : 4 : 26 entities Detail

Interaction partners 2. Adaptin ear-binding coat-associated protein 1, AP-2 complex subunit mu, entity 2, : 27 interactors Detail

Experiments performed 24 experiments Detail

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Chemical shift validation 4 contents Detail