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Found 1 Document (2.034 seconds)

BMRB: 18498

2LTV

YAP WW2 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 WW2 in complex with a Smad7 derived peptide

Entity

1. YAPWW2 (polymer, Thiol state: not present), 36 monomers, 4187.556 Da Detail

GPLPDGWEQA MTQDGEIYYI NHKNKTTSWL DPRLDP

2. SMAD7 (polymer, Thiol state: not present), 13 monomers, 1463.613 Da Detail

GSPPPPYSRY PMD

Total weight

5651.169 Da

Max. entity weight

4187.556 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.8 %, Completeness: 80.5 %, Completeness (bb): 88.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	80.5 % (247 of 307)	80.5 % (247 of 307)
Backbone	88.2 % (82 of 93)	88.2 % (82 of 93)
Sidechain	77.1 % (165 of 214)	77.1 % (165 of 214)
Aromatic	83.3 % (25 of 30)	83.3 % (25 of 30)
Methyl	100.0 % (14 of 14)	100.0 % (14 of 14)

1. YAPWW2

GPLPDGWEQA MTQDGEIYYI NHKNKTTSWL DPRLDP

2. SMAD7

GSPPPPYSRY PMD

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	YAPWW2	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	YAPWW2	[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 40 models in PDB: 2LTV, 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

Related entities 1. YAPWW2, : 2 : 4 : 430 entities Detail

Related entities 2. SMAD7, : 1 : 12 entities Detail

Interaction partners 1. YAPWW2, : 60 : 1 interactors Detail

More details for 61 interactors identified by 31 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_18498_2ltv.nef
Input source #2: Coordindates	2ltv.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

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
B	205	.	Not matched with CCD	None

Sequence alignments

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

230-----240-------250-------260-----
GPLPDGWEQAMTQDGEIYYINHKNKTTSWLDPRLDP
||||||||||||||||||||||||||||||||||||
GPLPDGWEQAMTQDGEIYYINHKNKTTSWLDPRLDP
--------10--------20--------30------

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

----210-------
G.SPPPPYSRYPMD
  ||||||||||||
..SPPPPYSRYPMD
-0--------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	12	2	0	100.0

Content subtype: combined_18498_2ltv.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts	Warning	249		97.2 (chain: A, length: 36), 57.1 (chain: B, length: 14)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	362 (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: 97.2%
  - Entity_assembly_ID: B, Chain length: 14, Sequence coverage: 57.1%
- Total number of assignments
  - ¹H chemical shifts: 249
- 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)
241	THR	HG1	6.811
251	HIS	HD1	6.688
256	THR	HG1	4.85

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	225	206	91.6

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	154	138	89.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	15	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	17	77.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	82	40	48.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	13	59.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	27	45.0

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: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 36, Sequence coverage: 100.0%
- Total number of restraints: 362
- Weight of restraints: 1.0 (362)
- Potential type of restraints: square-well-parabolic (362)
- Range of distance target values: 2.74, 6.0 (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 (2.034 seconds)

BMRB: 18498

Sample #1

Sample #2

Related entities 1. YAPWW2, : 2 : 4 : 430 entities Detail

Related entities 2. SMAD7, : 1 : 12 entities Detail

Interaction partners 1. YAPWW2, : 60 : 1 interactors Detail

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

Experiments performed 5 experiments Detail

Instrument

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Sample

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NMR combined restraints 3 contents Detail