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- PDB-1ps2: HIGH RESOLUTION NMR SOLUTION STRUCTURE OF HUMAN PS2, 19 STRUCTURES -

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Basic information

Entry
Database: PDB / ID: 1ps2
TitleHIGH RESOLUTION NMR SOLUTION STRUCTURE OF HUMAN PS2, 19 STRUCTURES
ComponentsPS2
KeywordsGROWTH FACTOR / CELL MOTILITY / TUMOR SUPPRESSOR / TREFOIL DOMAIN
Function / homology
Function and homology information


maintenance of gastrointestinal epithelium / response to iron ion / response to immobilization stress / growth factor activity / response to peptide hormone / cell population proliferation / Estrogen-dependent gene expression / cell differentiation / carbohydrate metabolic process / negative regulation of cell population proliferation ...maintenance of gastrointestinal epithelium / response to iron ion / response to immobilization stress / growth factor activity / response to peptide hormone / cell population proliferation / Estrogen-dependent gene expression / cell differentiation / carbohydrate metabolic process / negative regulation of cell population proliferation / extracellular space / extracellular region
Similarity search - Function
P-type trefoil, chordata / Spasmolytic Protein, domain 1 / Spasmolytic Protein; domain 1 / P-type trefoil, conserved site / P-type 'Trefoil' domain signature. / Trefoil (P-type) domain / P-type trefoil domain / P-type trefoil domain superfamily / P-type 'Trefoil' domain profile. / P or trefoil or TFF domain ...P-type trefoil, chordata / Spasmolytic Protein, domain 1 / Spasmolytic Protein; domain 1 / P-type trefoil, conserved site / P-type 'Trefoil' domain signature. / Trefoil (P-type) domain / P-type trefoil domain / P-type trefoil domain superfamily / P-type 'Trefoil' domain profile. / P or trefoil or TFF domain / Few Secondary Structures / Irregular
Similarity search - Domain/homology
Biological speciesHomo sapiens (human)
MethodSOLUTION NMR / simulated annealing
AuthorsWilliams, M.A. / Polshakov, V.I. / Gargaro, A.R. / Feeney, J.
Citation
Journal: J.Mol.Biol. / Year: 1997
Title: High-resolution solution structure of human pNR-2/pS2: a single trefoil motif protein.
Authors: Polshakov, V.I. / Williams, M.A. / Gargaro, A.R. / Frenkiel, T.A. / Westley, B.R. / Chadwick, M.P. / May, F.E. / Feeney, J.
#1: Journal: Biochem.J. / Year: 1995
Title: Production and Comparison of Mature Single-Domain 'Trefoil' Peptides Pnr-2/Ps2 Cys58 and Pnr-2/Ps2 Ser58
Authors: Chadwick, M.P. / May, F.E. / Westley, B.R.
#2: Journal: Eur.J.Biochem. / Year: 1995
Title: NMR-Based Structural Studies of the Pnr-2/Ps2 Single Domain Trefoil Peptide. Similarities to Porcine Spasmolytic Peptide and Evidence for a Monomeric Structure
Authors: Polshakov, V.I. / Frenkiel, T.A. / Westley, B. / Chadwick, M. / May, F. / Carr, M.D. / Feeney, J.
History
DepositionJan 7, 1997Processing site: BNL
Revision 1.0Jul 7, 1997Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Nov 3, 2021Group: Database references / Derived calculations / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_oper_list / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site / _struct_ref_seq_dif.details

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: PS2


Theoretical massNumber of molelcules
Total (without water)6,6621
Polymers6,6621
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)19 / 20TOTAL NOE CONSTRAINT VIOLATIONS < 1.0 A
Representative

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Components

#1: Protein PS2 / PNR-2


Mass: 6662.300 Da / Num. of mol.: 1 / Mutation: C58S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Tissue: EPITHELIAL / Cell: MCF-7, UACL / Cell line: HB101 / Cellular location: EXTRACELLULARGlossary of biology / Gene: BCEI / Organ: BREAST, STOMACH / Cell line (production host): HB101 / Gene (production host): BCEI / Production host: Escherichia coli (E. coli) / Strain (production host): JM109 / References: UniProt: P04155

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112-D H-1-H HOMONUCLEAR COSY
121TOCSY
131ROESY AND NOESY. 1-H/15-N HSQC-NOESY
141HNHA
151HNHB

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Sample preparation

Sample conditionspH: 6 / Temperature: 298 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Varian UNITYVarianUNITY5001
Varian UNITYPLUSVarianUNITYPLUS6002

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Processing

Software
NameVersionClassification
X-PLOR3.1model building
X-PLOR3.1refinement
X-PLOR3.1phasing
NMR software
NameVersionDeveloperClassification
X-PLORBRUNGERrefinement
X-PLOR3.1structure solution
RefinementMethod: simulated annealing / Software ordinal: 1
NMR ensembleConformer selection criteria: TOTAL NOE CONSTRAINT VIOLATIONS < 1.0 A
Conformers calculated total number: 20 / Conformers submitted total number: 19

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