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PDB | 2LTV | YAP WW2 in complex with a Smad7 derived peptide

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Internal ID
44245
PDB Entry ID
2LTV
Title
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.
Primary Citation
AuthorsAragon, E., Goerner, N., Xi, Q., Gomes, T., Gao, S., Massague, J., Macias, M.J.
TitleStructural Basis for the Versatile Interactions of Smad7 with Regulator WW Domains in TGF-beta Pathways.
JournalStructure, v.20, pp.1726 - 1736, 2012
AbstractView
Pubmed22921829
DOI10.1016/j.str.2012.07.014
 
History
Deposition: 2012-06-04Release: 2012-11-21Last Modified:
Experimental Method
TypeSOLUTION NMR
Unit Cell
Length [Å]abc
Angles [°]alphabetagamma
NMR Ensemble
Conformers Calculated300Conformers Submitted40Selection Criteriastructures with the lowest energy
NMR Refine
Methodtorsion angle dynamics
Molecular Description
PolymerMoleculeMutationFragmentChainsEC NumberOther details
1Yorkie homologWW2 domain (UNP residues 230-265)A
2Smad7 derived peptideUNP residues 206-217B
Functional Class
Source
PolymerScientific NameCommon NameExpression System
1Homo sapienshumanEscherichia coli
Related PDB Entries
IDDetails
2LTW
2LTX
2LTY
2LTZ
SCOP Classification
CATH Classification
Structural Details
KeywordPROTEIN BINDING/PEPTIDE
TextWW, YAP, SMAD7, PROTEIN BINDING-PEPTIDE complex
 
Polymeric Molecules
Chain A
DescriptionYorkie homolog
FragmentWW2 domain (UNP residues 230-265)
Polymer typepolypeptide
Formula Weight4191.6
Source Methodgenetically manipulated
Entity Name65 kDa Yes-associated protein, YAP65
Entity Name Sysn/a
 
Chain B
DescriptionSmad7 derived peptide
FragmentUNP residues 206-217
Polymer typepolypeptide
Formula Weight1407.6
Source Methodsynthetic
Entity Name Sysn/a
 
Entity Poly
EntityChiralityLinkageMonomer# Mon.StrandTypeDetails
1n/anonon/aApolypeptide(L)n/a
2n/anonon/aBpolypeptide(L)n/a
Natural/Genetically Modified Source
Common Namehuman
Scientific NameHomo sapiens
Source Genusn/a
GeneYAP1, YAP65
Host Common Namen/a
Host Scientific NameEscherichia coli
Host Genusn/a
Host Cell Linen/a
Host StrainBL21
Host Vector Typeplasmid
Host PlasmidpetM11
 
Unit Cell
Length a (Å)Length b Å)Length c (Å)
Angle Alpha (°)Angle Beta (°)Angle Gamma (°)
Spectrometer Info
Field StrengthManufacturerModel
600BrukerAvance
Sample Conditions
Sample ContentsSolvent SystemIonic StrengthpHPressurePressure UnitsTemperature
1 mM YAPWW2, 2 mM SMAD7, 20 mM [U-100% 2H] TRIS, 100 mM sodium chloride, 90% H2O/10% D2O90% H2O/10% D2On/a7.2ambientn/a285
1 mM [U-100% 13C; U-100% 15N] YAPWW2, 3 mM SMAD7, 20 mM [U-100% 2H] TRIS, 100 mM sodium chloride, 90% H2O/10% D2O90% H2O/10% D2On/a7.2ambientn/a285
NMR Software
Author(s)ClassificationSoftware Name
Bruker BiospincollectionTOPSPIN
Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and BaxprocessingNMRPipe
Keller and Wuthrichpeak pickingCARA
Keller and Wuthrichchemical shift assignmentCARA
Brunger, Adams, Clore, Gros, Nilges and Readstructure solutionCNSSOLVE
Brunger, Adams, Clore, Gros, Nilges and ReadrefinementCNSSOLVE
NMR Ensemble Information
Conformers Calculated Total Number300
Conformers Submitted Total Number40
Conformer Selection Criteria structures with the lowest energy
 
NMR Refinement Information
MethodDetails
torsion angle dynamicsn/a
NMR Exptl Information
Conditions IDExperiment IDSolution IDType
1122D 1H-15N HSQC
1212D 1H-1H TOCSY
1312D 1H-1H NOESY
1423D CBCA(CO)NH
1523D HNCACB
Sequence Chain
A
Sequence
 1   GPLPDGWEQA  MTQDGEIYYI  NHKNKTTSWL  DPRLDP  

Sequence Chain
B
Sequence
 1   SPPPPYSRYP  MD