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Found 1 Document (2.37 seconds)

BMRB: 18499

2LTW

YAP WW1 in complex with a Smad7 derived peptide.

Authors

Macias, M.J., Aragon, E., Goerner, N., Xi, Q., Lopes, T., Gao, S., Massague, J.

Assembly

YAP WW1 in complex with a Smad7 derived peptide

Entity

1. YAPWW1 (polymer, Thiol state: not present), 36 monomers, 4146.552 Da Detail

DVPLPAGWEM AKTSSGQRYF LNHIDQTTTW QDPRKA

2. SMAD7 (polymer, Thiol state: not present), 14 monomers, 1592.726 Da Detail

GESPPPPYSR YPMD

Total weight

5739.278 Da

Max. entity weight

4146.552 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 88.0 %, Completeness: 76.5 %, Completeness (bb): 86.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	76.5 % (237 of 310)	76.5 % (237 of 310)
Backbone	86.3 % (82 of 95)	86.3 % (82 of 95)
Sidechain	72.1 % (155 of 215)	72.1 % (155 of 215)
Aromatic	83.9 % (26 of 31)	83.9 % (26 of 31)
Methyl	100.0 % (15 of 15)	100.0 % (15 of 15)

1. YAPWW1

DVPLPAGWEM AKTSSGQRYF LNHIDQTTTW QDPRKA

2. SMAD7

GESPPPPYSR YPMD

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	YAPWW1	natural abundance	1 mM
2	SMAD7	natural abundance	2 mM
3	TRIS	[U-100% 2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 7.2

#	Name	Isotope labeling	Concentration
7	YAPWW1	[U-100% 13C; U-100% 15N]	1 mM
8	SMAD7	natural abundance	3 mM
9	TRIS	[U-100% 2H]	20 mM
10	sodium chloride	natural abundance	100 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

Protein Blocks Logo

Calculated from 30 models in PDB: 2LTW, Strand ID: A, B Detail

Release date

2012-11-18

Citation

Structural basis for the versatile interactions of Smad7 with regulator WW domains in TGF-β Pathways
Aragon, E., Goerner, N., Xi, Q., Gomes, T., Gao, S., Massague, J., Macias, M.J.
Structure (2012), 20, 1726-1736, PubMed 22921829 , DOI 10.1016/j.str.2012.07.014 , Abstract

Entries sharing articles BMRB: 4 entries Detail

  BMRB: 18498 released on 2012-11-18
    Title YAP WW2 in complex with a Smad7 derived peptide.
  BMRB: 18500 released on 2012-11-18
    Title Smurf1 WW2 domain in complex with a Smad7 derived peptide.
  BMRB: 18501 released on 2012-11-18
    Title NEDD4L WW2 domain in complex with a Smad7 derived peptide.
  BMRB: 18502 released on 2012-11-18
    Title Smurf2 WW3 domain in complex with a Smad7 derived peptide.

Related entities 1. YAPWW1, : 2 : 5 : 433 entities Detail

Related entities 2. SMAD7, : 1 : 11 entities Detail

Interaction partners 1. YAPWW1, : 63 : 1 interactors Detail

More details for 64 interactors identified by 33 citations

Interaction partners 2. SMAD7, : 26 : 1 interactors Detail

More details for 27 interactors identified by 7 citations

Experiments performed 5 experiments Detail

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_18499_2ltw.nef
Input source #2: Coordindates	2ltw.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

170-----180-------190-------200-----
DVPLPAGWEMAKTSSGQRYFLNHIDQTTTWQDPRKA
||||||||||||||||||||||||||||||||||||
DVPLPAGWEMAKTSSGQRYFLNHIDQTTTWQDPRKA
--------10--------20--------30------

Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

----210-------
GESPPPPYSRYPMD
||||||||||||||
GESPPPPYSRYPMD
--------10----

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	36	0	0	100.0
B	B	14	0	0	100.0

Content subtype: combined_18499_2ltw.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts	Warning	241		100.0 (chain: A, length: 36), 57.1 (chain: B, length: 14)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	263 (1)	noe	100.0 (chain: A, length: 36)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 36, Sequence coverage: 100.0%
  - Entity_assembly_ID: B, Chain length: 14, Sequence coverage: 57.1%
- Total number of assignments
  - ¹H chemical shifts: 241
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: B
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A
  - Chain_ID: B

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
182	THR	HG1	4.762
192	HIS	HD1	6.592

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	222	196	88.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	71	68	95.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	151	128	84.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	16	15	93.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	23	18	78.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	88	39	44.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	24	12	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	64	27	42.2

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

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

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 36, Sequence coverage: 100.0%
- Total number of restraints: 263
- Weight of restraints: 1.0 (263)
- Potential type of restraints: square-well-parabolic (263)
- Range of distance target values: 1.75, 5.58 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
    None
- Distance restraints on contact map

Keywords SMAD7, WW, YAP

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Found 1 Document (2.37 seconds)

BMRB: 18499

Sample #1

Sample #2

Entries sharing articles BMRB: 4 entries Detail

Related entities 1. YAPWW1, : 2 : 5 : 433 entities Detail

Related entities 2. SMAD7, : 1 : 11 entities Detail

Interaction partners 1. YAPWW1, : 63 : 1 interactors Detail

Interaction partners 2. SMAD7, : 26 : 1 interactors Detail

Experiments performed 5 experiments Detail

Instrument

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NMR combined restraints 3 contents Detail