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- PDB-2mqa: 3D structure of RP domain of MiSp -

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Basic information

Entry
Database: PDB / ID: 2mqa
Title3D structure of RP domain of MiSp
ComponentsMinor ampullate fibroin 1
KeywordsSTRUCTURAL PROTEIN / Spider silk protein / Repetitive domain
Function / homology
Function and homology information


Spidroin, repetitive domain / Tubuliform egg casing silk strands structural domain / Tubuliform egg casing silk strands structural domain / Spidroin, C-terminal / Spidroin, repetitive domain / Major ampullate spidroin 1 and 2 / Spidroin, C-terminal domain superfamily / Enzyme I; Chain A, domain 2 / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
Minor ampullate fibroin 1
Similarity search - Component
Biological speciesNephila antipodiana (spider)
MethodSOLUTION NMR / distance geometry
Model detailslowest energy, model1
AuthorsYang, D. / Gao, Z.
CitationJournal: To be Published
Title: 3D structure of RP domain of MiSp
Authors: Gao, D. / Yang, D.
History
DepositionJun 16, 2014Deposition site: BMRB / Processing site: PDBJ
Revision 1.0Jun 17, 2015Provider: repository / Type: Initial release
Revision 1.1Jun 14, 2023Group: Data collection / Database references / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_nmr_spectrometer / 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.status_code_nmr_data / _pdbx_nmr_spectrometer.model / _struct_ref_seq_dif.details
Revision 1.2May 15, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 / Item: _database_2.pdbx_DOI

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Minor ampullate fibroin 1


Theoretical massNumber of molelcules
Total (without water)14,4751
Polymers14,4751
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)10 / 100target function
RepresentativeModel #1lowest energy

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Components

#1: Protein Minor ampullate fibroin 1


Mass: 14474.562 Da / Num. of mol.: 1 / Fragment: UNP residues 32-163
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Nephila antipodiana (spider) / Production host: Escherichia coli (E. coli) / References: UniProt: Q2LC34

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experimentType: 2D 1H-15N HSQC

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Sample preparation

DetailsContents: 0.6 mM [U-100% 13C; U-100% 15N] MiSp-1, 95% H2O/5% D2O
Solvent system: 95% H2O/5% D2O
SampleConc.: 0.6 mM / Component: MiSp-1 / Isotopic labeling: [U-100% 13C; U-100% 15N]
Sample conditionsIonic strength: 0.3 / pH: 7 / Pressure: ambient / Temperature: 302 K

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NMR measurement

NMR spectrometerType: Bruker Avance / Manufacturer: Bruker / Model: AVANCE / Field strength: 800 MHz

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Processing

NMR software
NameDeveloperClassification
CYANAGuntert, Mumenthaler and Wuthrichstructure solution
CYANArefinement
RefinementMethod: distance geometry / Software ordinal: 1
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: target function / Conformers calculated total number: 100 / Conformers submitted total number: 10 / Representative conformer: 1

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